 vasp.6.3.2 27Jun22 (build Feb 06 2023 14:45:50) complex                        
  
 executed on             LinuxIFC date 2023.03.13  01:27:43
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORE=   4 cores,    4 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
   SYSTEM = Al Lattice Relaxation  HSE06-1/2x vdW-DF2, Ionic Relaxation
   GGA = PE
   LHFCALC = .TRUE.
   HFSCREEN = 0.2
   AEXX = 0.5
   AGGAC = 0.0
   LUSE_VDW = .TRUE.
   ZAB_VDW = -1.8667
   LASPH = .TRUE.
   PREC = Accurate
   ALGO = Damped
   TIME = 0.2
   ENCUT = 400
   NELM = 100
   NELMIN = 2
   ICHARGE = 1
   ISTART = 1
   ISPIN = 2
   ISYM = 0
   ISMEAR = 1
   SIGMA = 0.2
   IBRION = 1
   NSW = 100
   EDIFFG = -0.005
   ADDGRID = .TRUE.
   EDIFF = 1.E-5
   LCHARGE = .TRUE.
   LWAVE = .TRUE.
   NPAR = 4
   DEFAULT = Nr_Cores
   OPTIMUM = sqrt(Nr_Cores) and int multpl of Nr_Cores
   KPAR = 1
   LPLANE = .TRUE.
   NSIM = 4

 POTCAR:    PAW_PBE Al 04Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|               ----> ADVICE to this user running VASP <----                  |
|                                                                             |
|     You have switched on vdW-DFT.                                           |
|     This routine was written and supplied by Jiri Klimes. We recommend      |
|     that you carefully read and cite the following publications:            |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          J. Phys.: Cond Matt. 22 022201 (2010)                              |
|       J. Klimes, D.R. Bowler, A. Michelides                                 |
|          Phys. Rev. B. 83, 195131 (2011)                                    |
|     and references therein.                                                 |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Al 04Jan2001                  
   VRHFIN =Al: s2p1                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =    53.5387 eV,    3.9350 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Al 04Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   26.981; ZVAL   =    3.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)                               
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  291.052                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.939    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.966    radius for radial grids                                                     
   RDEPT  =    1.856    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1511.1048   2.0000                                                             
     2  0  0.50      -108.1629   2.0000                                                             
     2  1  1.50       -69.6402   6.0000                                                             
     3  0  0.50        -7.7528   2.0000                                                             
     3  1  1.50        -2.7121   1.0000                                                             
     3  2  2.50        -2.7212   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0     -7.7528455     23  1.900                                                                 
     0     -3.3096929     23  1.900                                                                 
     1     -2.7120682     23  1.900                                                                 
     1     13.6058260     23  1.900                                                                 
     2     -2.7211652      7  1.900                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
  PAW_PBE Al 04Jan2001                  :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0005 (will be added to EATOM!!)
 
 
 POSCAR: Al
  positions in cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.667  0.667  0.000-   2 2.86   2 2.86   2 2.86
   2  0.000  0.000  0.121-   1 2.86   1 2.86   3 2.86   3 2.86   1 2.86   3 2.86
   3  0.333  0.333  0.241-   4 2.86   2 2.86   2 2.86   4 2.86   4 2.86   2 2.86
   4  0.667  0.667  0.362-   3 2.86   5 2.86   5 2.86   3 2.86   3 2.86   5 2.86
   5  0.000  0.000  0.483-   4 2.86   4 2.86   4 2.86
 

IMPORTANT INFORMATION: All symmetrisations will be switched off!
NOSYMM: (Re-)initialisation of all symmetry stuff for point group C_1.


----------------------------------------------------------------------------------------

                                     Primitive cell                                     

  volume of cell :     136.7027

  direct lattice vectors                    reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569

  position of ions in fractional coordinates (direct lattice)
     0.666666667  0.666666667  0.000000000
     0.000000000  0.000000000  0.120683576
     0.333333333  0.333333333  0.241367153
     0.666666667  0.666666667  0.362050729
     0.000000000  0.000000000  0.482734305

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4
                 5           5

----------------------------------------------------------------------------------------

 
 
 KPOINTS: Automatic Mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:   12   12    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.029163432 -0.016837515  0.000000000     0.083333333 -0.000000000  0.000000000
     0.000000000  0.033675030  0.000000000     0.000000000  0.083333333  0.000000000
     0.000000000  0.000000000  0.051726569     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.033675030  0.033675030  0.051726569

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     74 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.083333 -0.000000  0.000000      2.000000
  0.083333  0.083333  0.000000      2.000000
  0.000000  0.083333  0.000000      2.000000
  0.166667 -0.000000  0.000000      2.000000
  0.166667  0.166667  0.000000      2.000000
  0.000000  0.166667  0.000000      2.000000
  0.250000 -0.000000  0.000000      2.000000
  0.250000  0.250000  0.000000      2.000000
  0.000000  0.250000  0.000000      2.000000
  0.333333 -0.000000  0.000000      2.000000
  0.333333  0.333333  0.000000      2.000000
  0.000000  0.333333  0.000000      2.000000
  0.416667 -0.000000  0.000000      2.000000
  0.416667  0.416667  0.000000      2.000000
  0.000000  0.416667  0.000000      2.000000
  0.500000 -0.000000  0.000000      1.000000
  0.500000  0.500000  0.000000      1.000000
  0.000000  0.500000  0.000000      1.000000
  0.166667  0.083333  0.000000      2.000000
  0.083333  0.166667  0.000000      2.000000
 -0.083333  0.083333  0.000000      2.000000
  0.250000  0.083333  0.000000      2.000000
  0.166667  0.250000  0.000000      2.000000
 -0.083333  0.166667  0.000000      2.000000
  0.166667 -0.083333  0.000000      2.000000
 -0.083333 -0.250000  0.000000      2.000000
 -0.250000 -0.166667  0.000000      2.000000
  0.333333  0.083333  0.000000      2.000000
  0.250000  0.333333  0.000000      2.000000
 -0.083333  0.250000  0.000000      2.000000
  0.250000 -0.083333  0.000000      2.000000
 -0.083333 -0.333333  0.000000      2.000000
 -0.333333 -0.250000  0.000000      2.000000
  0.416667  0.083333  0.000000      2.000000
  0.333333  0.416667  0.000000      2.000000
 -0.083333  0.333333  0.000000      2.000000
  0.333333 -0.083333  0.000000      2.000000
 -0.083333 -0.416667  0.000000      2.000000
 -0.416667 -0.333333  0.000000      2.000000
  0.500000  0.083333  0.000000      2.000000
  0.416667  0.500000  0.000000      2.000000
 -0.083333  0.416667  0.000000      2.000000
  0.416667 -0.083333  0.000000      2.000000
 -0.083333  0.500000  0.000000      2.000000
  0.500000 -0.416667  0.000000      2.000000
  0.333333  0.166667  0.000000      2.000000
  0.166667  0.333333  0.000000      2.000000
 -0.166667  0.166667  0.000000      2.000000
  0.416667  0.166667  0.000000      2.000000
  0.250000  0.416667  0.000000      2.000000
 -0.166667  0.250000  0.000000      2.000000
  0.250000 -0.166667  0.000000      2.000000
 -0.166667 -0.416667  0.000000      2.000000
 -0.416667 -0.250000  0.000000      2.000000
  0.500000  0.166667  0.000000      2.000000
  0.333333  0.500000  0.000000      2.000000
 -0.166667  0.333333  0.000000      2.000000
  0.333333 -0.166667  0.000000      2.000000
 -0.166667  0.500000  0.000000      2.000000
  0.500000 -0.333333  0.000000      2.000000
 -0.416667  0.166667  0.000000      2.000000
  0.416667 -0.416667  0.000000      2.000000
 -0.166667  0.416667  0.000000      2.000000
  0.500000  0.250000  0.000000      2.000000
  0.250000  0.500000  0.000000      2.000000
 -0.250000  0.250000  0.000000      2.000000
 -0.416667  0.250000  0.000000      2.000000
  0.333333 -0.416667  0.000000      2.000000
 -0.250000  0.333333  0.000000      2.000000
  0.333333 -0.250000  0.000000      2.000000
 -0.250000  0.416667  0.000000      2.000000
  0.416667 -0.333333  0.000000      2.000000
 -0.333333  0.333333  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.029163 -0.016838  0.000000      2.000000
  0.029163  0.016838  0.000000      2.000000
  0.000000  0.033675  0.000000      2.000000
  0.058327 -0.033675  0.000000      2.000000
  0.058327  0.033675  0.000000      2.000000
  0.000000  0.067350  0.000000      2.000000
  0.087490 -0.050513  0.000000      2.000000
  0.087490  0.050513  0.000000      2.000000
  0.000000  0.101025  0.000000      2.000000
  0.116654 -0.067350  0.000000      2.000000
  0.116654  0.067350  0.000000      2.000000
  0.000000  0.134700  0.000000      2.000000
  0.145817 -0.084188  0.000000      2.000000
  0.145817  0.084188  0.000000      2.000000
  0.000000  0.168375  0.000000      2.000000
  0.174981 -0.101025  0.000000      1.000000
  0.174981  0.101025  0.000000      1.000000
  0.000000  0.202050  0.000000      1.000000
  0.058327  0.000000  0.000000      2.000000
  0.029163  0.050513  0.000000      2.000000
 -0.029163  0.050513  0.000000      2.000000
  0.087490 -0.016838  0.000000      2.000000
  0.058327  0.067350  0.000000      2.000000
 -0.029163  0.084188  0.000000      2.000000
  0.058327 -0.067350  0.000000      2.000000
 -0.029163 -0.084188  0.000000      2.000000
 -0.087490 -0.016838  0.000000      2.000000
  0.116654 -0.033675  0.000000      2.000000
  0.087490  0.084188  0.000000      2.000000
 -0.029163  0.117863  0.000000      2.000000
  0.087490 -0.084188  0.000000      2.000000
 -0.029163 -0.117863  0.000000      2.000000
 -0.116654 -0.033675  0.000000      2.000000
  0.145817 -0.050513  0.000000      2.000000
  0.116654  0.101025  0.000000      2.000000
 -0.029163  0.151538  0.000000      2.000000
  0.116654 -0.101025  0.000000      2.000000
 -0.029163 -0.151538  0.000000      2.000000
 -0.145817 -0.050513  0.000000      2.000000
  0.174981 -0.067350  0.000000      2.000000
  0.145817  0.117863  0.000000      2.000000
 -0.029163  0.185213  0.000000      2.000000
  0.145817 -0.117863  0.000000      2.000000
 -0.029163  0.218888  0.000000      2.000000
  0.174981 -0.269400  0.000000      2.000000
  0.116654 -0.000000  0.000000      2.000000
  0.058327  0.101025  0.000000      2.000000
 -0.058327  0.101025  0.000000      2.000000
  0.145817 -0.016838  0.000000      2.000000
  0.087490  0.117863  0.000000      2.000000
 -0.058327  0.134700  0.000000      2.000000
  0.087490 -0.117863  0.000000      2.000000
 -0.058327 -0.134700  0.000000      2.000000
 -0.145817 -0.016838  0.000000      2.000000
  0.174981 -0.033675  0.000000      2.000000
  0.116654  0.134700  0.000000      2.000000
 -0.058327  0.168375  0.000000      2.000000
  0.116654 -0.134700  0.000000      2.000000
 -0.058327  0.235725  0.000000      2.000000
  0.174981 -0.235725  0.000000      2.000000
 -0.145817  0.151538  0.000000      2.000000
  0.145817 -0.252563  0.000000      2.000000
 -0.058327  0.202050  0.000000      2.000000
  0.174981  0.000000  0.000000      2.000000
  0.087490  0.151538  0.000000      2.000000
 -0.087490  0.151538  0.000000      2.000000
 -0.145817  0.185213  0.000000      2.000000
  0.116654 -0.235725  0.000000      2.000000
 -0.087490  0.185213  0.000000      2.000000
  0.116654 -0.168375  0.000000      2.000000
 -0.087490  0.218888  0.000000      2.000000
  0.145817 -0.218888  0.000000      2.000000
 -0.116654  0.202050  0.000000      2.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    144 k-points in 1st BZ
 the following    144 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00694444   1 t-inv F
  0.083333 -0.000000  0.000000    0.00694444   2 t-inv F
  0.083333  0.083333  0.000000    0.00694444   3 t-inv F
  0.000000  0.083333  0.000000    0.00694444   4 t-inv F
  0.166667 -0.000000  0.000000    0.00694444   5 t-inv F
  0.166667  0.166667  0.000000    0.00694444   6 t-inv F
  0.000000  0.166667  0.000000    0.00694444   7 t-inv F
  0.250000 -0.000000  0.000000    0.00694444   8 t-inv F
  0.250000  0.250000  0.000000    0.00694444   9 t-inv F
  0.000000  0.250000  0.000000    0.00694444  10 t-inv F
  0.333333 -0.000000  0.000000    0.00694444  11 t-inv F
  0.333333  0.333333  0.000000    0.00694444  12 t-inv F
  0.000000  0.333333  0.000000    0.00694444  13 t-inv F
  0.416667 -0.000000  0.000000    0.00694444  14 t-inv F
  0.416667  0.416667  0.000000    0.00694444  15 t-inv F
  0.000000  0.416667  0.000000    0.00694444  16 t-inv F
  0.500000 -0.000000  0.000000    0.00694444  17 t-inv F
  0.500000  0.500000  0.000000    0.00694444  18 t-inv F
  0.000000  0.500000  0.000000    0.00694444  19 t-inv F
  0.166667  0.083333  0.000000    0.00694444  20 t-inv F
  0.083333  0.166667  0.000000    0.00694444  21 t-inv F
 -0.083333  0.083333  0.000000    0.00694444  22 t-inv F
  0.250000  0.083333  0.000000    0.00694444  23 t-inv F
  0.166667  0.250000  0.000000    0.00694444  24 t-inv F
 -0.083333  0.166667  0.000000    0.00694444  25 t-inv F
  0.166667 -0.083333  0.000000    0.00694444  26 t-inv F
 -0.083333 -0.250000  0.000000    0.00694444  27 t-inv F
 -0.250000 -0.166667  0.000000    0.00694444  28 t-inv F
  0.333333  0.083333  0.000000    0.00694444  29 t-inv F
  0.250000  0.333333  0.000000    0.00694444  30 t-inv F
 -0.083333  0.250000  0.000000    0.00694444  31 t-inv F
  0.250000 -0.083333  0.000000    0.00694444  32 t-inv F
 -0.083333 -0.333333  0.000000    0.00694444  33 t-inv F
 -0.333333 -0.250000  0.000000    0.00694444  34 t-inv F
  0.416667  0.083333  0.000000    0.00694444  35 t-inv F
  0.333333  0.416667  0.000000    0.00694444  36 t-inv F
 -0.083333  0.333333  0.000000    0.00694444  37 t-inv F
  0.333333 -0.083333  0.000000    0.00694444  38 t-inv F
 -0.083333 -0.416667  0.000000    0.00694444  39 t-inv F
 -0.416667 -0.333333  0.000000    0.00694444  40 t-inv F
  0.500000  0.083333  0.000000    0.00694444  41 t-inv F
  0.416667  0.500000  0.000000    0.00694444  42 t-inv F
 -0.083333  0.416667  0.000000    0.00694444  43 t-inv F
  0.416667 -0.083333  0.000000    0.00694444  44 t-inv F
 -0.083333  0.500000  0.000000    0.00694444  45 t-inv F
  0.500000 -0.416667  0.000000    0.00694444  46 t-inv F
  0.333333  0.166667  0.000000    0.00694444  47 t-inv F
  0.166667  0.333333  0.000000    0.00694444  48 t-inv F
 -0.166667  0.166667  0.000000    0.00694444  49 t-inv F
  0.416667  0.166667  0.000000    0.00694444  50 t-inv F
  0.250000  0.416667  0.000000    0.00694444  51 t-inv F
 -0.166667  0.250000  0.000000    0.00694444  52 t-inv F
  0.250000 -0.166667  0.000000    0.00694444  53 t-inv F
 -0.166667 -0.416667  0.000000    0.00694444  54 t-inv F
 -0.416667 -0.250000  0.000000    0.00694444  55 t-inv F
  0.500000  0.166667  0.000000    0.00694444  56 t-inv F
  0.333333  0.500000  0.000000    0.00694444  57 t-inv F
 -0.166667  0.333333  0.000000    0.00694444  58 t-inv F
  0.333333 -0.166667  0.000000    0.00694444  59 t-inv F
 -0.166667  0.500000  0.000000    0.00694444  60 t-inv F
  0.500000 -0.333333  0.000000    0.00694444  61 t-inv F
 -0.416667  0.166667  0.000000    0.00694444  62 t-inv F
  0.416667 -0.416667  0.000000    0.00694444  63 t-inv F
 -0.166667  0.416667  0.000000    0.00694444  64 t-inv F
  0.500000  0.250000  0.000000    0.00694444  65 t-inv F
  0.250000  0.500000  0.000000    0.00694444  66 t-inv F
 -0.250000  0.250000  0.000000    0.00694444  67 t-inv F
 -0.416667  0.250000  0.000000    0.00694444  68 t-inv F
  0.333333 -0.416667  0.000000    0.00694444  69 t-inv F
 -0.250000  0.333333  0.000000    0.00694444  70 t-inv F
  0.333333 -0.250000  0.000000    0.00694444  71 t-inv F
 -0.250000  0.416667  0.000000    0.00694444  72 t-inv F
  0.416667 -0.333333  0.000000    0.00694444  73 t-inv F
 -0.333333  0.333333  0.000000    0.00694444  74 t-inv F
 -0.083333  0.000000  0.000000    0.00694444   2 t-inv T
 -0.083333 -0.083333  0.000000    0.00694444   3 t-inv T
  0.000000 -0.083333  0.000000    0.00694444   4 t-inv T
 -0.166667  0.000000  0.000000    0.00694444   5 t-inv T
 -0.166667 -0.166667  0.000000    0.00694444   6 t-inv T
  0.000000 -0.166667  0.000000    0.00694444   7 t-inv T
 -0.250000  0.000000  0.000000    0.00694444   8 t-inv T
 -0.250000 -0.250000  0.000000    0.00694444   9 t-inv T
  0.000000 -0.250000  0.000000    0.00694444  10 t-inv T
 -0.333333  0.000000  0.000000    0.00694444  11 t-inv T
 -0.333333 -0.333333  0.000000    0.00694444  12 t-inv T
  0.000000 -0.333333  0.000000    0.00694444  13 t-inv T
 -0.416667  0.000000  0.000000    0.00694444  14 t-inv T
 -0.416667 -0.416667  0.000000    0.00694444  15 t-inv T
  0.000000 -0.416667  0.000000    0.00694444  16 t-inv T
 -0.166667 -0.083333  0.000000    0.00694444  20 t-inv T
 -0.083333 -0.166667  0.000000    0.00694444  21 t-inv T
  0.083333 -0.083333  0.000000    0.00694444  22 t-inv T
 -0.250000 -0.083333  0.000000    0.00694444  23 t-inv T
 -0.166667 -0.250000  0.000000    0.00694444  24 t-inv T
  0.083333 -0.166667  0.000000    0.00694444  25 t-inv T
 -0.166667  0.083333  0.000000    0.00694444  26 t-inv T
  0.083333  0.250000  0.000000    0.00694444  27 t-inv T
  0.250000  0.166667  0.000000    0.00694444  28 t-inv T
 -0.333333 -0.083333  0.000000    0.00694444  29 t-inv T
 -0.250000 -0.333333  0.000000    0.00694444  30 t-inv T
  0.083333 -0.250000  0.000000    0.00694444  31 t-inv T
 -0.250000  0.083333  0.000000    0.00694444  32 t-inv T
  0.083333  0.333333  0.000000    0.00694444  33 t-inv T
  0.333333  0.250000  0.000000    0.00694444  34 t-inv T
 -0.416667 -0.083333  0.000000    0.00694444  35 t-inv T
 -0.333333 -0.416667  0.000000    0.00694444  36 t-inv T
  0.083333 -0.333333  0.000000    0.00694444  37 t-inv T
 -0.333333  0.083333  0.000000    0.00694444  38 t-inv T
  0.083333  0.416667  0.000000    0.00694444  39 t-inv T
  0.416667  0.333333  0.000000    0.00694444  40 t-inv T
 -0.500000 -0.083333  0.000000    0.00694444  41 t-inv T
 -0.416667 -0.500000  0.000000    0.00694444  42 t-inv T
  0.083333 -0.416667  0.000000    0.00694444  43 t-inv T
 -0.416667  0.083333  0.000000    0.00694444  44 t-inv T
  0.083333 -0.500000  0.000000    0.00694444  45 t-inv T
 -0.500000  0.416667  0.000000    0.00694444  46 t-inv T
 -0.333333 -0.166667  0.000000    0.00694444  47 t-inv T
 -0.166667 -0.333333  0.000000    0.00694444  48 t-inv T
  0.166667 -0.166667  0.000000    0.00694444  49 t-inv T
 -0.416667 -0.166667  0.000000    0.00694444  50 t-inv T
 -0.250000 -0.416667  0.000000    0.00694444  51 t-inv T
  0.166667 -0.250000  0.000000    0.00694444  52 t-inv T
 -0.250000  0.166667  0.000000    0.00694444  53 t-inv T
  0.166667  0.416667  0.000000    0.00694444  54 t-inv T
  0.416667  0.250000  0.000000    0.00694444  55 t-inv T
 -0.500000 -0.166667  0.000000    0.00694444  56 t-inv T
 -0.333333 -0.500000  0.000000    0.00694444  57 t-inv T
  0.166667 -0.333333  0.000000    0.00694444  58 t-inv T
 -0.333333  0.166667  0.000000    0.00694444  59 t-inv T
  0.166667 -0.500000  0.000000    0.00694444  60 t-inv T
 -0.500000  0.333333  0.000000    0.00694444  61 t-inv T
  0.416667 -0.166667  0.000000    0.00694444  62 t-inv T
 -0.416667  0.416667  0.000000    0.00694444  63 t-inv T
  0.166667 -0.416667  0.000000    0.00694444  64 t-inv T
 -0.500000 -0.250000  0.000000    0.00694444  65 t-inv T
 -0.250000 -0.500000  0.000000    0.00694444  66 t-inv T
  0.250000 -0.250000  0.000000    0.00694444  67 t-inv T
  0.416667 -0.250000  0.000000    0.00694444  68 t-inv T
 -0.333333  0.416667  0.000000    0.00694444  69 t-inv T
  0.250000 -0.333333  0.000000    0.00694444  70 t-inv T
 -0.333333  0.250000  0.000000    0.00694444  71 t-inv T
  0.250000 -0.416667  0.000000    0.00694444  72 t-inv T
 -0.416667  0.333333  0.000000    0.00694444  73 t-inv T
  0.333333 -0.333333  0.000000    0.00694444  74 t-inv T


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =     74   k-points in BZ     NKDIM =    144   number of bands    NBANDS=     16
   number of dos      NEDOS =    301   number of ions     NIONS =      5
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  50400
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 114978
   dimension x,y,z NGX =    20 NGY =   20 NGZ =  126
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=  252
   support grid    NGXF=    80 NGYF=   80 NGZF=  504
   ions per type =               5
   NGX,Y,Z   is equivalent  to a cutoff of  11.64, 11.64, 10.84 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  23.27, 23.27, 21.67 a.u.

 SYSTEM =  Al Lattice Relaxation  HSE06-1/2x vdW-DF
 POSCAR =  Al                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   4.66  4.66 31.53*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = -.5E-02   stopping-criterion for IOM
   NSW    =    100    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    100    inner block; outer block 
   IBRION =      1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      0    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.187E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      15.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     53    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.20     timestep for ELM

  volume/ion in A,a.u.               =      27.34       184.50
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.783754  1.481079  8.357645  0.614270
  Thomas-Fermi vector in A             =   1.887746
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    PE    GGA type
   LEXCH   =     8    internal setting for exchange type
   LIBXC   =     F    Libxc                    
   VOSKOWN =     0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   FOCKCORR=     1    mode to apply convergence corrections
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=  -1    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    0.5000 exact exchange contribution
   HFSCREEN=    0.2000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.2000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.5000 LDA exchange part
   AGGAX   =    0.5000 GGA exchange part
   ALDAC   =    1.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC

 vdW DFT:
   LUSE_VDW   =     T    switch on vdW DFT
   Zab_VDW    =******    correlation parameter
   PARAM1     =0.1234
   PARAM2     =1.0000
   PARAM3     =0.0000
   -- rVV10 --
   BPARAM     = 6.3000
   CPARAM     = 0.0093

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 quasi-Newton-method for relaxation of ions
   using selective dynamics as specified on POSCAR
   WARNING: If single coordinates had been selected the selection of coordinates
            is made according to the corresponding   d i r e c t   coordinates!
            Don't support selection of single cartesian coordinates -- sorry ...
  !
 charge density and potential will be updated during run
 spin polarized calculation
 Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
 perform sub-space diagonalisation
    before iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            8
 reciprocal scheme for non local part
 use partial core corrections
 no Harris-corrections to forces 
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.007
   0.02916343 -0.01683752  0.00000000       0.014
   0.02916343  0.01683752  0.00000000       0.014
   0.00000000  0.03367503  0.00000000       0.014
   0.05832686 -0.03367503  0.00000000       0.014
   0.05832686  0.03367503  0.00000000       0.014
   0.00000000  0.06735006  0.00000000       0.014
   0.08749030 -0.05051255  0.00000000       0.014
   0.08749030  0.05051255  0.00000000       0.014
   0.00000000  0.10102509  0.00000000       0.014
   0.11665373 -0.06735006  0.00000000       0.014
   0.11665373  0.06735006  0.00000000       0.014
   0.00000000  0.13470012  0.00000000       0.014
   0.14581716 -0.08418758  0.00000000       0.014
   0.14581716  0.08418758  0.00000000       0.014
   0.00000000  0.16837515  0.00000000       0.014
   0.17498059 -0.10102509  0.00000000       0.007
   0.17498059  0.10102509  0.00000000       0.007
   0.00000000  0.20205018  0.00000000       0.007
   0.05832686  0.00000000  0.00000000       0.014
   0.02916343  0.05051255  0.00000000       0.014
  -0.02916343  0.05051255  0.00000000       0.014
   0.08749030 -0.01683752  0.00000000       0.014
   0.05832686  0.06735006  0.00000000       0.014
  -0.02916343  0.08418758  0.00000000       0.014
   0.05832686 -0.06735006  0.00000000       0.014
  -0.02916343 -0.08418758  0.00000000       0.014
  -0.08749030 -0.01683752  0.00000000       0.014
   0.11665373 -0.03367503  0.00000000       0.014
   0.08749030  0.08418758  0.00000000       0.014
  -0.02916343  0.11786261  0.00000000       0.014
   0.08749030 -0.08418758  0.00000000       0.014
  -0.02916343 -0.11786261  0.00000000       0.014
  -0.11665373 -0.03367503  0.00000000       0.014
   0.14581716 -0.05051255  0.00000000       0.014
   0.11665373  0.10102509  0.00000000       0.014
  -0.02916343  0.15153764  0.00000000       0.014
   0.11665373 -0.10102509  0.00000000       0.014
  -0.02916343 -0.15153764  0.00000000       0.014
  -0.14581716 -0.05051255  0.00000000       0.014
   0.17498059 -0.06735006  0.00000000       0.014
   0.14581716  0.11786261  0.00000000       0.014
  -0.02916343  0.18521267  0.00000000       0.014
   0.14581716 -0.11786261  0.00000000       0.014
  -0.02916343  0.21888770  0.00000000       0.014
   0.17498059 -0.26940024  0.00000000       0.014
   0.11665373 -0.00000000  0.00000000       0.014
   0.05832686  0.10102509  0.00000000       0.014
  -0.05832686  0.10102509  0.00000000       0.014
   0.14581716 -0.01683752  0.00000000       0.014
   0.08749030  0.11786261  0.00000000       0.014
  -0.05832686  0.13470012  0.00000000       0.014
   0.08749030 -0.11786261  0.00000000       0.014
  -0.05832686 -0.13470012  0.00000000       0.014
  -0.14581716 -0.01683752  0.00000000       0.014
   0.17498059 -0.03367503  0.00000000       0.014
   0.11665373  0.13470012  0.00000000       0.014
  -0.05832686  0.16837515  0.00000000       0.014
   0.11665373 -0.13470012  0.00000000       0.014
  -0.05832686  0.23572521  0.00000000       0.014
   0.17498059 -0.23572521  0.00000000       0.014
  -0.14581716  0.15153764  0.00000000       0.014
   0.14581716 -0.25256273  0.00000000       0.014
  -0.05832686  0.20205018  0.00000000       0.014
   0.17498059 -0.00000000  0.00000000       0.014
   0.08749030  0.15153764  0.00000000       0.014
  -0.08749030  0.15153764  0.00000000       0.014
  -0.14581716  0.18521267  0.00000000       0.014
   0.11665373 -0.23572521  0.00000000       0.014
  -0.08749030  0.18521267  0.00000000       0.014
   0.11665373 -0.16837515  0.00000000       0.014
  -0.08749030  0.21888770  0.00000000       0.014
   0.14581716 -0.21888770  0.00000000       0.014
  -0.11665373  0.20205018  0.00000000       0.014
 
 k-points in reciprocal lattice and weights: Automatic Mesh                          
   0.00000000  0.00000000  0.00000000       0.007
   0.08333333 -0.00000000  0.00000000       0.014
   0.08333333  0.08333333  0.00000000       0.014
   0.00000000  0.08333333  0.00000000       0.014
   0.16666667 -0.00000000  0.00000000       0.014
   0.16666667  0.16666667  0.00000000       0.014
   0.00000000  0.16666667  0.00000000       0.014
   0.25000000 -0.00000000  0.00000000       0.014
   0.25000000  0.25000000  0.00000000       0.014
   0.00000000  0.25000000  0.00000000       0.014
   0.33333333 -0.00000000  0.00000000       0.014
   0.33333333  0.33333333  0.00000000       0.014
   0.00000000  0.33333333  0.00000000       0.014
   0.41666667 -0.00000000  0.00000000       0.014
   0.41666667  0.41666667  0.00000000       0.014
   0.00000000  0.41666667  0.00000000       0.014
   0.50000000 -0.00000000  0.00000000       0.007
   0.50000000  0.50000000  0.00000000       0.007
   0.00000000  0.50000000  0.00000000       0.007
   0.16666667  0.08333333  0.00000000       0.014
   0.08333333  0.16666667  0.00000000       0.014
  -0.08333333  0.08333333  0.00000000       0.014
   0.25000000  0.08333333  0.00000000       0.014
   0.16666667  0.25000000  0.00000000       0.014
  -0.08333333  0.16666667  0.00000000       0.014
   0.16666667 -0.08333333  0.00000000       0.014
  -0.08333333 -0.25000000  0.00000000       0.014
  -0.25000000 -0.16666667  0.00000000       0.014
   0.33333333  0.08333333  0.00000000       0.014
   0.25000000  0.33333333  0.00000000       0.014
  -0.08333333  0.25000000  0.00000000       0.014
   0.25000000 -0.08333333  0.00000000       0.014
  -0.08333333 -0.33333333  0.00000000       0.014
  -0.33333333 -0.25000000  0.00000000       0.014
   0.41666667  0.08333333  0.00000000       0.014
   0.33333333  0.41666667  0.00000000       0.014
  -0.08333333  0.33333333  0.00000000       0.014
   0.33333333 -0.08333333  0.00000000       0.014
  -0.08333333 -0.41666667  0.00000000       0.014
  -0.41666667 -0.33333333  0.00000000       0.014
   0.50000000  0.08333333  0.00000000       0.014
   0.41666667  0.50000000  0.00000000       0.014
  -0.08333333  0.41666667  0.00000000       0.014
   0.41666667 -0.08333333  0.00000000       0.014
  -0.08333333  0.50000000  0.00000000       0.014
   0.50000000 -0.41666667  0.00000000       0.014
   0.33333333  0.16666667  0.00000000       0.014
   0.16666667  0.33333333  0.00000000       0.014
  -0.16666667  0.16666667  0.00000000       0.014
   0.41666667  0.16666667  0.00000000       0.014
   0.25000000  0.41666667  0.00000000       0.014
  -0.16666667  0.25000000  0.00000000       0.014
   0.25000000 -0.16666667  0.00000000       0.014
  -0.16666667 -0.41666667  0.00000000       0.014
  -0.41666667 -0.25000000  0.00000000       0.014
   0.50000000  0.16666667  0.00000000       0.014
   0.33333333  0.50000000  0.00000000       0.014
  -0.16666667  0.33333333  0.00000000       0.014
   0.33333333 -0.16666667  0.00000000       0.014
  -0.16666667  0.50000000  0.00000000       0.014
   0.50000000 -0.33333333  0.00000000       0.014
  -0.41666667  0.16666667  0.00000000       0.014
   0.41666667 -0.41666667  0.00000000       0.014
  -0.16666667  0.41666667  0.00000000       0.014
   0.50000000  0.25000000  0.00000000       0.014
   0.25000000  0.50000000  0.00000000       0.014
  -0.25000000  0.25000000  0.00000000       0.014
  -0.41666667  0.25000000  0.00000000       0.014
   0.33333333 -0.41666667  0.00000000       0.014
  -0.25000000  0.33333333  0.00000000       0.014
   0.33333333 -0.25000000  0.00000000       0.014
  -0.25000000  0.41666667  0.00000000       0.014
   0.41666667 -0.33333333  0.00000000       0.014
  -0.33333333  0.33333333  0.00000000       0.014
 
 position of ions in fractional coordinates (direct lattice) 
   0.66666667  0.66666667  0.00000000
   0.00000000  0.00000000  0.12068358
   0.33333333  0.33333333  0.24136715
   0.66666667  0.66666667  0.36205073
   0.00000000  0.00000000  0.48273431
 
 position of ions in cartesian coordinates  (Angst):
   2.85745977  1.64975517  0.00000000
   0.00000000  0.00000000  2.33310613
   1.42872988  0.82487758  4.66621226
   2.85745977  1.64975517  6.99931839
   0.00000000  0.00000000  9.33242453
 


--------------------------------------------------------------------------------------------------------


 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    2523
 k-point   2 :   0.0833-0.0000 0.0000  plane waves:    2504
 k-point   3 :   0.0833 0.0833 0.0000  plane waves:    2504
 k-point   4 :   0.0000 0.0833 0.0000  plane waves:    2504
 k-point   5 :   0.1667-0.0000 0.0000  plane waves:    2488
 k-point   6 :   0.1667 0.1667 0.0000  plane waves:    2488
 k-point   7 :   0.0000 0.1667 0.0000  plane waves:    2488
 k-point   8 :   0.2500-0.0000 0.0000  plane waves:    2494
 k-point   9 :   0.2500 0.2500 0.0000  plane waves:    2494
 k-point  10 :   0.0000 0.2500 0.0000  plane waves:    2494
 k-point  11 :   0.3333-0.0000 0.0000  plane waves:    2488
 k-point  12 :   0.3333 0.3333 0.0000  plane waves:    2488
 k-point  13 :   0.0000 0.3333 0.0000  plane waves:    2488
 k-point  14 :   0.4167-0.0000 0.0000  plane waves:    2486
 k-point  15 :   0.4167 0.4167 0.0000  plane waves:    2486
 k-point  16 :   0.0000 0.4167 0.0000  plane waves:    2486
 k-point  17 :   0.5000-0.0000 0.0000  plane waves:    2472
 k-point  18 :   0.5000 0.5000 0.0000  plane waves:    2472
 k-point  19 :   0.0000 0.5000 0.0000  plane waves:    2472
 k-point  20 :   0.1667 0.0833 0.0000  plane waves:    2505
 k-point  21 :   0.0833 0.1667 0.0000  plane waves:    2505
 k-point  22 :  -0.0833 0.0833 0.0000  plane waves:    2505
 k-point  23 :   0.2500 0.0833 0.0000  plane waves:    2492
 k-point  24 :   0.1667 0.2500 0.0000  plane waves:    2492
 k-point  25 :  -0.0833 0.1667 0.0000  plane waves:    2492
 k-point  26 :   0.1667-0.0833 0.0000  plane waves:    2492
 k-point  27 :  -0.0833-0.2500 0.0000  plane waves:    2492
 k-point  28 :  -0.2500-0.1667 0.0000  plane waves:    2492
 k-point  29 :   0.3333 0.0833 0.0000  plane waves:    2488
 k-point  30 :   0.2500 0.3333 0.0000  plane waves:    2488
 k-point  31 :  -0.0833 0.2500 0.0000  plane waves:    2488
 k-point  32 :   0.2500-0.0833 0.0000  plane waves:    2488
 k-point  33 :  -0.0833-0.3333 0.0000  plane waves:    2488
 k-point  34 :  -0.3333-0.2500 0.0000  plane waves:    2488
 k-point  35 :   0.4167 0.0833 0.0000  plane waves:    2482
 k-point  36 :   0.3333 0.4167 0.0000  plane waves:    2482
 k-point  37 :  -0.0833 0.3333 0.0000  plane waves:    2482
 k-point  38 :   0.3333-0.0833 0.0000  plane waves:    2482
 k-point  39 :  -0.0833-0.4167 0.0000  plane waves:    2482
 k-point  40 :  -0.4167-0.3333 0.0000  plane waves:    2482
 k-point  41 :   0.5000 0.0833 0.0000  plane waves:    2477
 k-point  42 :   0.4167 0.5000 0.0000  plane waves:    2477
 k-point  43 :  -0.0833 0.4167 0.0000  plane waves:    2477
 k-point  44 :   0.4167-0.0833 0.0000  plane waves:    2477
 k-point  45 :  -0.0833 0.5000 0.0000  plane waves:    2477
 k-point  46 :   0.5000-0.4167 0.0000  plane waves:    2477
 k-point  47 :   0.3333 0.1667 0.0000  plane waves:    2481
 k-point  48 :   0.1667 0.3333 0.0000  plane waves:    2481
 k-point  49 :  -0.1667 0.1667 0.0000  plane waves:    2481
 k-point  50 :   0.4167 0.1667 0.0000  plane waves:    2486
 k-point  51 :   0.2500 0.4167 0.0000  plane waves:    2486
 k-point  52 :  -0.1667 0.2500 0.0000  plane waves:    2486
 k-point  53 :   0.2500-0.1667 0.0000  plane waves:    2486
 k-point  54 :  -0.1667-0.4167 0.0000  plane waves:    2486
 k-point  55 :  -0.4167-0.2500 0.0000  plane waves:    2486
 k-point  56 :   0.5000 0.1667 0.0000  plane waves:    2475
 k-point  57 :   0.3333 0.5000 0.0000  plane waves:    2475
 k-point  58 :  -0.1667 0.3333 0.0000  plane waves:    2475
 k-point  59 :   0.3333-0.1667 0.0000  plane waves:    2475
 k-point  60 :  -0.1667 0.5000 0.0000  plane waves:    2475
 k-point  61 :   0.5000-0.3333 0.0000  plane waves:    2475
 k-point  62 :  -0.4167 0.1667 0.0000  plane waves:    2464
 k-point  63 :   0.4167-0.4167 0.0000  plane waves:    2464
 k-point  64 :  -0.1667 0.4167 0.0000  plane waves:    2464
 k-point  65 :   0.5000 0.2500 0.0000  plane waves:    2481
 k-point  66 :   0.2500 0.5000 0.0000  plane waves:    2481
 k-point  67 :  -0.2500 0.2500 0.0000  plane waves:    2481
 k-point  68 :  -0.4167 0.2500 0.0000  plane waves:    2466
 k-point  69 :   0.3333-0.4167 0.0000  plane waves:    2466
 k-point  70 :  -0.2500 0.3333 0.0000  plane waves:    2466
 k-point  71 :   0.3333-0.2500 0.0000  plane waves:    2466
 k-point  72 :  -0.2500 0.4167 0.0000  plane waves:    2466
 k-point  73 :   0.4167-0.3333 0.0000  plane waves:    2466
 k-point  74 :  -0.3333 0.3333 0.0000  plane waves:    2430

 maximum and minimum number of plane-waves per node :       647      593

 maximum number of plane-waves:      2523
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=   31
   IXMIN=   -5   IYMIN=   -5   IZMIN=  -31


 parallel 3D FFT for wavefunctions:
    minimum data exchange during FFTs selected (reduces bandwidth)
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 FFT grid for exact exchange (Hartree Fock) 
  NGX = 14; NGY = 14; NGZ = 96

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   1.301 (default was   1.041)
       energy cutoff for augmentation   1600.0

 real space projection operators:
  total allocation   :        447.12 KBytes
  max/ min on nodes  :        131.34         92.67

 Maximum index for augmentation-charges in exchange          388
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0    60202. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3159. kBytes
   fftplans  :       4460. kBytes
   grid      :       3201. kBytes
   one-center:         12. kBytes
   HF        :          4. kBytes
   nonlr-proj:        271. kBytes
   wavefun   :      19095. kBytes
 
     INWAV:  cpu time      0.5492: real time      0.5528
 Broyden mixing: mesh for mixing (old mesh)
   NGX =  9   NGY =  9   NGZ = 63
  (NGX  = 40   NGY  = 40   NGZ  =252)
  gives a total of   5103 points

 charge density for first step will be calculated from the start-wavefunctions


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges         7066 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.344
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x 9

    FEWALD:  cpu time      0.0032: real time      0.0033


--------------------------------------- Iteration      1(   1)  ---------------------------------------


vdW kernel read from vdw_kernel.bindat
  0.0000  0.2424  0.5071  0.7962  1.1119  1.4567  1.8333  2.2446  2.6937  3.1842
  3.7199  4.3049  4.9438  5.6415  6.4036  7.2358  8.1446  9.1372 10.2212 11.4050
 12.6979 14.1099 15.6519 17.3360 19.1751 21.1837 23.3773 25.7729 28.3892 31.2465
 34.3669 37.7748 41.4965 45.5611 50.0000
 
    POTLOK:  cpu time      2.3197: real time      2.3351
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    582.9498: real time    588.2920
    CORREC:  cpu time      0.0029: real time      0.0029
    CHARGE:  cpu time      0.2263: real time      0.2283
    --------------------------------------------
      LOOP:  cpu time    586.7334: real time    592.2318

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1291281E+02  (-0.1545089E+00)
 number of electron      15.0000000 magnetization      -0.0000151
 augmentation part       -0.2081833 magnetization      -0.0000046

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.64299710
  -exchange      EXHF   =        33.26481181
  -V(xc)+E(xc)   XCENC  =       -83.63778054
  PAW double counting   =       429.69581860     -328.75876648
  entropy T*S    EENTRO =        -0.00345159
  eigenvalues    EBANDS =       -34.02861331
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -12.91281131 eV

  energy without entropy =      -12.90935972  energy(sigma->0) =      -12.91166078
  exchange ACFDT corr.  =        -0.00484615  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7292
    SETDIJ:  cpu time      1.2424: real time      1.2479
    TRIAL :  cpu time    584.4311: real time    589.6687
    CORREC:  cpu time      0.0029: real time      0.0029
    CHARGE:  cpu time      0.2255: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    586.6245: real time    591.8767

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1426680E+00  (-0.1920633E+00)
 number of electron      15.0000000 magnetization      -0.0000159
 augmentation part       -0.1804322 magnetization      -0.0000051

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.16551989
  -exchange      EXHF   =        33.26874390
  -V(xc)+E(xc)   XCENC  =       -83.61243417
  PAW double counting   =       634.49871291     -533.54270096
  entropy T*S    EENTRO =        -0.00270242
  eigenvalues    EBANDS =       -34.69765867
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.05547931 eV

  energy without entropy =      -13.05277689  energy(sigma->0) =      -13.05457851
  exchange ACFDT corr.  =        -0.00454378  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7298
    SETDIJ:  cpu time      1.2422: real time      1.2476
    TRIAL :  cpu time    586.3320: real time    591.5272
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2252: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    588.5272: real time    593.7362

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1724561E+00  (-0.1728168E+00)
 number of electron      15.0000000 magnetization      -0.0000160
 augmentation part       -0.1518147 magnetization      -0.0000022

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.83106662
  -exchange      EXHF   =        33.27800051
  -V(xc)+E(xc)   XCENC  =       -83.57826460
  PAW double counting   =      1236.90888968    -1135.92928970
  entropy T*S    EENTRO =        -0.00218939
  eigenvalues    EBANDS =       -35.27233140
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.22793539 eV

  energy without entropy =      -13.22574600  energy(sigma->0) =      -13.22720559
  exchange ACFDT corr.  =        -0.00402493  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7297
    SETDIJ:  cpu time      1.2416: real time      1.2470
    TRIAL :  cpu time    586.7267: real time    591.9124
    CORREC:  cpu time      0.0031: real time      0.0032
    CHARGE:  cpu time      0.2252: real time      0.2272
    --------------------------------------------
      LOOP:  cpu time    588.9209: real time    594.1209

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1545450E+00  (-0.1434852E+00)
 number of electron      15.0000000 magnetization      -0.0000151
 augmentation part       -0.1257460 magnetization       0.0000018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.76747796
  -exchange      EXHF   =        33.29068522
  -V(xc)+E(xc)   XCENC  =       -83.54733433
  PAW double counting   =      2630.38660140    -2529.38794295
  entropy T*S    EENTRO =        -0.00198935
  eigenvalues    EBANDS =       -35.55365149
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.38248034 eV

  energy without entropy =      -13.38049099  energy(sigma->0) =      -13.38181722
  exchange ACFDT corr.  =        -0.00366905  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7283
    SETDIJ:  cpu time      1.2410: real time      1.2465
    TRIAL :  cpu time    585.6758: real time    590.8739
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2252: real time      0.2272
    --------------------------------------------
      LOOP:  cpu time    587.8677: real time    593.0802

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1297640E+00  (-0.1191124E+00)
 number of electron      15.0000000 magnetization      -0.0000137
 augmentation part       -0.1031567 magnetization       0.0000054

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -703.86619214
  -exchange      EXHF   =        33.30270179
  -V(xc)+E(xc)   XCENC  =       -83.52672465
  PAW double counting   =      5275.56778217    -5174.55937931
  entropy T*S    EENTRO =        -0.00204056
  eigenvalues    EBANDS =       -35.62727202
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.51224437 eV

  energy without entropy =      -13.51020381  energy(sigma->0) =      -13.51156418
  exchange ACFDT corr.  =        -0.00355082  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7280
    SETDIJ:  cpu time      1.2408: real time      1.2465
    TRIAL :  cpu time    589.6413: real time    594.8700
    CORREC:  cpu time      0.0032: real time      0.0032
    CHARGE:  cpu time      0.2250: real time      0.2269
    --------------------------------------------
      LOOP:  cpu time    591.8331: real time    597.0757

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1084280E+00  (-0.9730061E-01)
 number of electron      15.0000000 magnetization      -0.0000123
 augmentation part       -0.0836258 magnetization       0.0000074

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.01330746
  -exchange      EXHF   =        33.31038406
  -V(xc)+E(xc)   XCENC  =       -83.51799521
  PAW double counting   =      9559.35828765    -9458.34967345
  entropy T*S    EENTRO =        -0.00224528
  eigenvalues    EBANDS =       -35.60515661
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.62067242 eV

  energy without entropy =      -13.61842713  energy(sigma->0) =      -13.61992399
  exchange ACFDT corr.  =        -0.00358238  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7281
    SETDIJ:  cpu time      1.2420: real time      1.2474
    TRIAL :  cpu time    589.2187: real time    594.4085
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2252: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time    591.4116: real time    596.6155

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8799899E-01  (-0.7550744E-01)
 number of electron      15.0000000 magnetization      -0.0000116
 augmentation part       -0.0663514 magnetization       0.0000086

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.13067157
  -exchange      EXHF   =        33.31246099
  -V(xc)+E(xc)   XCENC  =       -83.51838182
  PAW double counting   =     15750.99706603   -15649.99528991
  entropy T*S    EENTRO =        -0.00251752
  eigenvalues    EBANDS =       -35.57043899
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.70867140 eV

  energy without entropy =      -13.70615388  energy(sigma->0) =      -13.70783223
  exchange ACFDT corr.  =        -0.00369632  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7282
    SETDIJ:  cpu time      1.2381: real time      1.2439
    TRIAL :  cpu time    588.5373: real time    593.7070
    CORREC:  cpu time      0.0031: real time      0.0032
    CHARGE:  cpu time      0.2264: real time      0.2284
    --------------------------------------------
      LOOP:  cpu time    590.7279: real time    595.9117

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6738158E-01  (-0.5507132E-01)
 number of electron      15.0000000 magnetization      -0.0000125
 augmentation part       -0.0507877 magnetization       0.0000098

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17875103
  -exchange      EXHF   =        33.31029117
  -V(xc)+E(xc)   XCENC  =       -83.52312144
  PAW double counting   =     24023.60334034   -23922.61144554
  entropy T*S    EENTRO =        -0.00279792
  eigenvalues    EBANDS =       -35.57267812
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.77605298 eV

  energy without entropy =      -13.77325506  energy(sigma->0) =      -13.77512034
  exchange ACFDT corr.  =        -0.00384097  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7278
    SETDIJ:  cpu time      1.2443: real time      1.2498
    TRIAL :  cpu time    589.7814: real time    594.9976
    CORREC:  cpu time      0.0031: real time      0.0031
    CHARGE:  cpu time      0.2262: real time      0.2282
    --------------------------------------------
      LOOP:  cpu time    591.9771: real time    597.2071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4844680E-01  (-0.3773990E-01)
 number of electron      15.0000000 magnetization      -0.0000156
 augmentation part       -0.0369420 magnetization       0.0000109

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.17871522
  -exchange      EXHF   =        33.30659227
  -V(xc)+E(xc)   XCENC  =       -83.52792517
  PAW double counting   =     34406.07952524   -34305.09689561
  entropy T*S    EENTRO =        -0.00305562
  eigenvalues    EBANDS =       -35.60311253
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.82449979 eV

  energy without entropy =      -13.82144417  energy(sigma->0) =      -13.82348125
  exchange ACFDT corr.  =        -0.00398560  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7283
    SETDIJ:  cpu time      1.2454: real time      1.2510
    TRIAL :  cpu time    589.5960: real time    594.7838
    CORREC:  cpu time      0.0033: real time      0.0033
    CHARGE:  cpu time      0.2260: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time    591.7933: real time    596.9949

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3266480E-01  (-0.2388665E-01)
 number of electron      15.0000000 magnetization      -0.0000206
 augmentation part       -0.0252623 magnetization       0.0000112

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.18301040
  -exchange      EXHF   =        33.30365905
  -V(xc)+E(xc)   XCENC  =       -83.53058733
  PAW double counting   =     46557.82490838   -46456.84932966
  entropy T*S    EENTRO =        -0.00327871
  eigenvalues    EBANDS =       -35.61857816
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.85716459 eV

  energy without entropy =      -13.85388588  energy(sigma->0) =      -13.85607168
  exchange ACFDT corr.  =        -0.00411741  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2338: real time      1.2392
    TRIAL :  cpu time    587.8401: real time    593.0274
    CORREC:  cpu time      0.0034: real time      0.0034
    CHARGE:  cpu time      0.2256: real time      0.2276
    --------------------------------------------
      LOOP:  cpu time    590.0253: real time    595.2262

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2024348E-01  (-0.1366353E-01)
 number of electron      15.0000000 magnetization      -0.0000261
 augmentation part       -0.0161282 magnetization       0.0000097

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.21041346
  -exchange      EXHF   =        33.30222076
  -V(xc)+E(xc)   XCENC  =       -83.53125057
  PAW double counting   =     59524.96014244   -59423.98935410
  entropy T*S    EENTRO =        -0.00346512
  eigenvalues    EBANDS =       -35.60430358
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.87740806 eV

  energy without entropy =      -13.87394295  energy(sigma->0) =      -13.87625303
  exchange ACFDT corr.  =        -0.00423247  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7278
    SETDIJ:  cpu time      1.2360: real time      1.2413
    TRIAL :  cpu time    589.2974: real time    594.4456
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2257: real time      0.2277
    --------------------------------------------
      LOOP:  cpu time    591.4846: real time    596.6464

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1128783E-01  (-0.6991556E-02)
 number of electron      15.0000000 magnetization      -0.0000318
 augmentation part       -0.0095300 magnetization       0.0000069

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.23964983
  -exchange      EXHF   =        33.30171779
  -V(xc)+E(xc)   XCENC  =       -83.53125475
  PAW double counting   =     71959.43116646   -71858.46375009
  entropy T*S    EENTRO =        -0.00361730
  eigenvalues    EBANDS =       -35.58228950
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88869589 eV

  energy without entropy =      -13.88507859  energy(sigma->0) =      -13.88749013
  exchange ACFDT corr.  =        -0.00432979  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  13)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7285
    SETDIJ:  cpu time      1.2434: real time      1.2486
    TRIAL :  cpu time    587.7914: real time    592.9557
    CORREC:  cpu time      0.0034: real time      0.0034
    CHARGE:  cpu time      0.2251: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    589.9863: real time    595.1641

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5595490E-02  (-0.3161159E-02)
 number of electron      15.0000000 magnetization      -0.0000373
 augmentation part       -0.0051129 magnetization       0.0000031

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25367476
  -exchange      EXHF   =        33.30140540
  -V(xc)+E(xc)   XCENC  =       -83.53165222
  PAW double counting   =     82648.65583724   -82547.69151713
  entropy T*S    EENTRO =        -0.00374034
  eigenvalues    EBANDS =       -35.56990178
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89429138 eV

  energy without entropy =      -13.89055105  energy(sigma->0) =      -13.89304461
  exchange ACFDT corr.  =        -0.00441049  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  14)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7288
    SETDIJ:  cpu time      1.2459: real time      1.2515
    TRIAL :  cpu time    590.1048: real time    595.3353
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2260: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    592.3043: real time    597.5486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2429012E-02  (-0.1246089E-02)
 number of electron      15.0000000 magnetization      -0.0000425
 augmentation part       -0.0023627 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25653233
  -exchange      EXHF   =        33.30101261
  -V(xc)+E(xc)   XCENC  =       -83.53258177
  PAW double counting   =     90896.28767144   -90795.32605182
  entropy T*S    EENTRO =        -0.00383997
  eigenvalues    EBANDS =       -35.56532735
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89672040 eV

  energy without entropy =      -13.89288043  energy(sigma->0) =      -13.89544041
  exchange ACFDT corr.  =        -0.00447706  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  15)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7287
    SETDIJ:  cpu time      1.2387: real time      1.2441
    TRIAL :  cpu time    587.6445: real time    592.8824
    CORREC:  cpu time      0.0034: real time      0.0034
    CHARGE:  cpu time      0.2257: real time      0.2276
    --------------------------------------------
      LOOP:  cpu time    589.8355: real time    595.0871

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9067605E-03  (-0.4404831E-03)
 number of electron      15.0000000 magnetization      -0.0000472
 augmentation part       -0.0007942 magnetization      -0.0000025

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25751706
  -exchange      EXHF   =        33.30066475
  -V(xc)+E(xc)   XCENC  =       -83.53360378
  PAW double counting   =     96600.00450986   -96499.04507252
  entropy T*S    EENTRO =        -0.00392121
  eigenvalues    EBANDS =       -35.56159761
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89762716 eV

  energy without entropy =      -13.89370595  energy(sigma->0) =      -13.89632009
  exchange ACFDT corr.  =        -0.00453224  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  16)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7286
    SETDIJ:  cpu time      1.2434: real time      1.2487
    TRIAL :  cpu time    587.6656: real time    592.8285
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2253: real time      0.2272
    --------------------------------------------
      LOOP:  cpu time    589.8609: real time    595.0374

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3055903E-03  (-0.1711398E-03)
 number of electron      15.0000000 magnetization      -0.0000512
 augmentation part       -0.0000115 magnetization      -0.0000033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.25937634
  -exchange      EXHF   =        33.30052754
  -V(xc)+E(xc)   XCENC  =       -83.53432104
  PAW double counting   =    100076.16591133   -99975.20786125
  entropy T*S    EENTRO =        -0.00398796
  eigenvalues    EBANDS =       -35.55772093
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89793275 eV

  energy without entropy =      -13.89394478  energy(sigma->0) =      -13.89660343
  exchange ACFDT corr.  =        -0.00457829  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  17)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7287
    SETDIJ:  cpu time      1.2467: real time      1.2522
    TRIAL :  cpu time    584.6584: real time    589.8288
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2256: real time      0.2275
    --------------------------------------------
      LOOP:  cpu time    586.8573: real time    592.0415

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1234686E-03  (-0.9936181E-04)
 number of electron      15.0000000 magnetization      -0.0000545
 augmentation part        0.0002792 magnetization      -0.0000030

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26107238
  -exchange      EXHF   =        33.30060314
  -V(xc)+E(xc)   XCENC  =       -83.53468297
  PAW double counting   =    101882.65157313  -101781.69449148
  entropy T*S    EENTRO =        -0.00404345
  eigenvalues    EBANDS =       -35.55482684
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89805622 eV

  energy without entropy =      -13.89401276  energy(sigma->0) =      -13.89670840
  exchange ACFDT corr.  =        -0.00461742  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  18)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7276
    SETDIJ:  cpu time      1.2441: real time      1.2496
    TRIAL :  cpu time    586.3909: real time    591.5616
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2258: real time      0.2278
    --------------------------------------------
      LOOP:  cpu time    588.5869: real time    593.7712

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8320562E-04  (-0.7959428E-04)
 number of electron      15.0000000 magnetization      -0.0000573
 augmentation part        0.0002971 magnetization      -0.0000022

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26197377
  -exchange      EXHF   =        33.30080456
  -V(xc)+E(xc)   XCENC  =       -83.53482843
  PAW double counting   =    102593.47566983  -102492.51882194
  entropy T*S    EENTRO =        -0.00409012
  eigenvalues    EBANDS =       -35.55377537
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89813942 eV

  energy without entropy =      -13.89404930  energy(sigma->0) =      -13.89677605
  exchange ACFDT corr.  =        -0.00465117  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  19)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7290
    SETDIJ:  cpu time      1.2449: real time      1.2504
    TRIAL :  cpu time    587.1792: real time    592.4175
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2253: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    589.3767: real time    594.6288

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7252370E-04  (-0.6642137E-04)
 number of electron      15.0000000 magnetization      -0.0000595
 augmentation part        0.0001846 magnetization      -0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26248402
  -exchange      EXHF   =        33.30104880
  -V(xc)+E(xc)   XCENC  =       -83.53488809
  PAW double counting   =    102689.39120430  -102588.43442880
  entropy T*S    EENTRO =        -0.00412986
  eigenvalues    EBANDS =       -35.55340318
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89821195 eV

  energy without entropy =      -13.89408208  energy(sigma->0) =      -13.89683532
  exchange ACFDT corr.  =        -0.00468056  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  20)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7277
    SETDIJ:  cpu time      1.2440: real time      1.2494
    TRIAL :  cpu time    586.3953: real time    591.6232
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2253: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time    588.5905: real time    593.8320

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6235667E-04  (-0.5319408E-04)
 number of electron      15.0000000 magnetization      -0.0000613
 augmentation part        0.0000243 magnetization      -0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26308208
  -exchange      EXHF   =        33.30129057
  -V(xc)+E(xc)   XCENC  =       -83.53492548
  PAW double counting   =    102491.25216473  -102390.29540297
  entropy T*S    EENTRO =        -0.00416409
  eigenvalues    EBANDS =       -35.55301836
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89827430 eV

  energy without entropy =      -13.89411021  energy(sigma->0) =      -13.89688627
  exchange ACFDT corr.  =        -0.00470643  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  21)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7280
    SETDIJ:  cpu time      1.2446: real time      1.2500
    TRIAL :  cpu time    587.5251: real time    592.6731
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2256: real time      0.2275
    --------------------------------------------
      LOOP:  cpu time    589.7216: real time    594.8832

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5055992E-04  (-0.4100806E-04)
 number of electron      15.0000000 magnetization      -0.0000626
 augmentation part       -0.0001393 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26386815
  -exchange      EXHF   =        33.30151448
  -V(xc)+E(xc)   XCENC  =       -83.53495719
  PAW double counting   =    102183.55635563  -102082.59966947
  entropy T*S    EENTRO =        -0.00419385
  eigenvalues    EBANDS =       -35.55236521
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89832486 eV

  energy without entropy =      -13.89413101  energy(sigma->0) =      -13.89692691
  exchange ACFDT corr.  =        -0.00472943  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  22)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2437: real time      1.2490
    TRIAL :  cpu time    587.1211: real time    592.2951
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2255: real time      0.2274
    --------------------------------------------
      LOOP:  cpu time    589.3167: real time    594.5042

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3926047E-04  (-0.3089481E-04)
 number of electron      15.0000000 magnetization      -0.0000636
 augmentation part       -0.0002834 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26468820
  -exchange      EXHF   =        33.30171881
  -V(xc)+E(xc)   XCENC  =       -83.53498201
  PAW double counting   =    101864.55923932  -101763.60261881
  entropy T*S    EENTRO =        -0.00421991
  eigenvalues    EBANDS =       -35.55166853
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89836412 eV

  energy without entropy =      -13.89414421  energy(sigma->0) =      -13.89695748
  exchange ACFDT corr.  =        -0.00474999  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  23)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7279
    SETDIJ:  cpu time      1.2447: real time      1.2502
    TRIAL :  cpu time    586.5661: real time    591.7750
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2252: real time      0.2271
    --------------------------------------------
      LOOP:  cpu time    588.7617: real time    593.9843

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2982804E-04  (-0.2319248E-04)
 number of electron      15.0000000 magnetization      -0.0000642
 augmentation part       -0.0003992 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26546214
  -exchange      EXHF   =        33.30190626
  -V(xc)+E(xc)   XCENC  =       -83.53499664
  PAW double counting   =    101583.61185288  -101482.65514360
  entropy T*S    EENTRO =        -0.00424291
  eigenvalues    EBANDS =       -35.55115996
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89839395 eV

  energy without entropy =      -13.89415104  energy(sigma->0) =      -13.89697965
  exchange ACFDT corr.  =        -0.00476850  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  24)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7283
    SETDIJ:  cpu time      1.2438: real time      1.2492
    TRIAL :  cpu time    585.5722: real time    590.7435
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2254: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time    587.7682: real time    592.9532

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2263283E-04  (-0.1764746E-04)
 number of electron      15.0000000 magnetization      -0.0000645
 augmentation part       -0.0004860 magnetization      -0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26630450
  -exchange      EXHF   =        33.30207843
  -V(xc)+E(xc)   XCENC  =       -83.53500411
  PAW double counting   =    101360.69732926  -101259.74051944
  entropy T*S    EENTRO =        -0.00426331
  eigenvalues    EBANDS =       -35.55058247
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89841658 eV

  energy without entropy =      -13.89415327  energy(sigma->0) =      -13.89699548
  exchange ACFDT corr.  =        -0.00478518  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  25)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7280
    SETDIJ:  cpu time      1.2422: real time      1.2476
    TRIAL :  cpu time    582.6793: real time    587.8343
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2260: real time      0.2279
    --------------------------------------------
      LOOP:  cpu time    584.8741: real time    590.0427

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1739772E-04  (-0.1377390E-04)
 number of electron      15.0000000 magnetization      -0.0000645
 augmentation part       -0.0005480 magnetization      -0.0000008

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26723982
  -exchange      EXHF   =        33.30223529
  -V(xc)+E(xc)   XCENC  =       -83.53500960
  PAW double counting   =    101197.86580357  -101096.90895902
  entropy T*S    EENTRO =        -0.00428148
  eigenvalues    EBANDS =       -35.54983024
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89843398 eV

  energy without entropy =      -13.89415250  energy(sigma->0) =      -13.89700682
  exchange ACFDT corr.  =        -0.00480027  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  26)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2420: real time      1.2474
    TRIAL :  cpu time    582.9053: real time    588.0659
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2258: real time      0.2278
    --------------------------------------------
      LOOP:  cpu time    585.1001: real time    590.2742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1365590E-04  (-0.1099898E-04)
 number of electron      15.0000000 magnetization      -0.0000643
 augmentation part       -0.0005905 magnetization      -0.0000011

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26817421
  -exchange      EXHF   =        33.30237649
  -V(xc)+E(xc)   XCENC  =       -83.53501659
  PAW double counting   =    101086.54993002  -100985.59307899
  entropy T*S    EENTRO =        -0.00429771
  eigenvalues    EBANDS =       -35.54903204
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89844764 eV

  energy without entropy =      -13.89414992  energy(sigma->0) =      -13.89701507
  exchange ACFDT corr.  =        -0.00481393  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  27)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7277
    SETDIJ:  cpu time      1.2431: real time      1.2485
    TRIAL :  cpu time    584.7336: real time    589.9214
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2260: real time      0.2280
    --------------------------------------------
      LOOP:  cpu time    586.9288: real time    592.1303

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1091484E-04  (-0.8909492E-05)
 number of electron      15.0000000 magnetization      -0.0000639
 augmentation part       -0.0006186 magnetization      -0.0000014

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26898223
  -exchange      EXHF   =        33.30250257
  -V(xc)+E(xc)   XCENC  =       -83.53502592
  PAW double counting   =    101014.95877193  -100914.00192593
  entropy T*S    EENTRO =        -0.00431228
  eigenvalues    EBANDS =       -35.54833041
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89845855 eV

  energy without entropy =      -13.89414628  energy(sigma->0) =      -13.89702113
  exchange ACFDT corr.  =        -0.00482633  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      1(  28)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7285
    SETDIJ:  cpu time      1.2409: real time      1.2463
    TRIAL :  cpu time    584.1461: real time    589.3381
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    581.4487: real time    586.4213
    CHARGE:  cpu time      0.2250: real time      0.2273
    --------------------------------------------
      LOOP:  cpu time   1167.7874: real time   1177.9660

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8822593E-05  (-0.7261112E-05)
 number of electron      15.0000000 magnetization      -0.0000633
 augmentation part       -0.0006367 magnetization      -0.0000015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.61744491
  -Hartree energ DENC   =      -704.26967529
  -exchange      EXHF   =        33.30271622
  -V(xc)+E(xc)   XCENC  =       -83.53503692
  PAW double counting   =    100971.63474711  -100870.67790957
  entropy T*S    EENTRO =        -0.00432538
  eigenvalues    EBANDS =       -35.54772473
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89846737 eV

  energy without entropy =      -13.89414200  energy(sigma->0) =      -13.89702558
  exchange ACFDT corr.  =        -0.00483757  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   2.3929


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8970       2 -69.7853       3 -69.7943       4 -69.7858       5 -69.8971
 
 
 
 E-fermi :   3.1510     XC(G=0):  -5.1142     alpha+bet : -8.9779

 Fermi energy:         3.1510189832

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9013      1.00000
      2     -10.0493      1.00000
      3      -8.6560      1.00000
      4      -6.7363      1.00000
      5      -4.3238      1.00000
      6      -1.5871      1.00000
      7       1.6293      1.00000
      8       4.6694     -0.00000
      9       5.4259     -0.00000
     10       7.9390     -0.00000
     11       8.0084     -0.00000
     12      12.0127      0.00000
     13      12.0878      0.00000
     14      16.3514      0.00000
     15      16.4762      0.00000
     16      16.5061      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8403      1.00000
      3      -8.4459      1.00000
      4      -6.5244      1.00000
      5      -4.1077      1.00000
      6      -1.3769      1.00000
      7       1.8429      1.00000
      8       4.8519     -0.00000
      9       5.6002     -0.00000
     10       8.1072     -0.00000
     11       8.1734     -0.00000
     12      12.0881      0.00000
     13      12.5267      0.00000
     14      12.8297      0.00000
     15      14.0935      0.00000
     16      14.5360      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8403      1.00000
      3      -8.4459      1.00000
      4      -6.5244      1.00000
      5      -4.1077      1.00000
      6      -1.3769      1.00000
      7       1.8429      1.00000
      8       4.8519     -0.00000
      9       5.6002     -0.00000
     10       8.1072     -0.00000
     11       8.1733     -0.00000
     12      12.0855      0.00000
     13      12.6458      0.00000
     14      12.7207      0.00000
     15      13.8590      0.00000
     16      14.6011      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8403      1.00000
      3      -8.4459      1.00000
      4      -6.5244      1.00000
      5      -4.1077      1.00000
      6      -1.3769      1.00000
      7       1.8429      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1072     -0.00000
     11       8.1734     -0.00000
     12      12.1275      0.00000
     13      12.5672      0.00000
     14      12.7522      0.00000
     15      13.8544      0.00000
     16      14.6067      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8888      1.00000
      5      -3.4608      1.00000
      6      -0.7476      1.00000
      7       2.4693      1.00001
      8       5.3814     -0.00000
      9       6.1180     -0.00000
     10       8.4915     -0.00000
     11       8.6425     -0.00000
     12       9.7338      0.00000
     13      10.2601      0.00000
     14      11.3793      0.00000
     15      12.5087      0.00000
     16      12.7247      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8888      1.00000
      5      -3.4608      1.00000
      6      -0.7476      1.00000
      7       2.4693      1.00001
      8       5.3815     -0.00000
      9       6.1180     -0.00000
     10       8.4931     -0.00000
     11       8.6425     -0.00000
     12       9.7344      0.00000
     13      10.2422      0.00000
     14      11.4195      0.00000
     15      12.4493      0.00000
     16      12.8143      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8888      1.00000
      5      -3.4608      1.00000
      6      -0.7476      1.00000
      7       2.4693      1.00001
      8       5.3815     -0.00000
      9       6.1180     -0.00000
     10       8.4929     -0.00000
     11       8.6421     -0.00000
     12       9.7344      0.00000
     13      10.2495      0.00000
     14      11.8969      0.00000
     15      11.9830      0.00000
     16      12.9138      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8295      1.00000
      5      -2.3889      1.00000
      6       0.2899      1.00000
      7       3.4256     -0.03290
      8       5.6447     -0.00000
      9       6.5589     -0.00000
     10       6.8242     -0.00000
     11       7.0660     -0.00000
     12       8.0302     -0.00000
     13       9.4622      0.00000
     14       9.6468      0.00000
     15       9.7421      0.00000
     16      11.5921      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8295      1.00000
      5      -2.3889      1.00000
      6       0.2899      1.00000
      7       3.4256     -0.03290
      8       5.6447     -0.00000
      9       6.5590     -0.00000
     10       6.8242     -0.00000
     11       7.0662     -0.00000
     12       8.0302     -0.00000
     13       9.4865      0.00000
     14       9.6111      0.00000
     15       9.7577      0.00000
     16      12.1352      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8295      1.00000
      5      -2.3889      1.00000
      6       0.2899      1.00000
      7       3.4256     -0.03290
      8       5.6446     -0.00000
      9       6.5585     -0.00000
     10       6.8241     -0.00000
     11       7.0661     -0.00000
     12       8.0301     -0.00000
     13       9.4251      0.00000
     14       9.6766      0.00000
     15       9.7366      0.00000
     16      12.2599      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3506      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02364
      9       4.7636     -0.00000
     10       5.1397     -0.00000
     11       6.5477     -0.00000
     12       7.6959     -0.00000
     13       8.2885      0.00000
     14       8.7531      0.00000
     15      10.5437      0.00000
     16      10.7471      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3506      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02364
      9       4.7636     -0.00000
     10       5.1396     -0.00000
     11       6.5477     -0.00000
     12       7.6951     -0.00000
     13       8.3768      0.00000
     14       8.8311      0.00000
     15      10.4090      0.00000
     16      10.7262      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3506      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02363
      9       4.7636     -0.00000
     10       5.1397     -0.00000
     11       6.5477     -0.00000
     12       7.6943     -0.00000
     13       8.2647      0.00000
     14       8.7469      0.00000
     15      10.5263      0.00000
     16      10.7966      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3971      1.00000
      4      -1.5014      1.00000
      5      -0.6735      1.00000
      6       0.0640      1.00000
      7       1.1035      1.00000
      8       1.9911      1.00000
      9       3.6648     -0.00085
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7185     -0.00000
     13       8.3387      0.00000
     14       9.4321      0.00000
     15       9.5333      0.00000
     16      10.7070      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3971      1.00000
      4      -1.5014      1.00000
      5      -0.6734      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6648     -0.00085
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7184     -0.00000
     13       8.4216      0.00000
     14       9.4233      0.00000
     15       9.4343      0.00000
     16      10.4499      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3971      1.00000
      4      -1.5014      1.00000
      5      -0.6735      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6648     -0.00085
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7185     -0.00000
     13       8.3526      0.00000
     14       9.3491      0.00000
     15       9.6788      0.00000
     16      10.4527      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3522      1.00000
      3      -2.5206      1.00000
      4      -2.4887      1.00000
      5      -1.3397      1.00000
      6      -0.9345      1.00000
      7       0.6624      1.00000
      8       1.4060      1.00000
      9       3.3992     -0.03542
     10       3.5316     -0.01083
     11       5.6826     -0.00000
     12       6.0195     -0.00000
     13       8.5985      0.00000
     14       8.7753      0.00000
     15      10.5964      0.00000
     16      10.8409      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3521      1.00000
      3      -2.5206      1.00000
      4      -2.4886      1.00000
      5      -1.3396      1.00000
      6      -0.9345      1.00000
      7       0.6623      1.00000
      8       1.4058      1.00000
      9       3.3991     -0.03542
     10       3.5316     -0.01083
     11       5.6826     -0.00000
     12       6.0195     -0.00000
     13       8.4875      0.00000
     14       9.0392      0.00000
     15      10.5614      0.00000
     16      11.1807      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3522      1.00000
      3      -2.5206      1.00000
      4      -2.4887      1.00000
      5      -1.3396      1.00000
      6      -0.9346      1.00000
      7       0.6623      1.00000
      8       1.4060      1.00000
      9       3.3992     -0.03542
     10       3.5316     -0.01083
     11       5.6824     -0.00000
     12       6.0197     -0.00000
     13       8.4922      0.00000
     14       8.9331      0.00000
     15      10.6821      0.00000
     16      10.9577      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0257      1.00000
      4      -6.1007      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2634      1.00000
      8       5.2098     -0.00000
      9       5.9468     -0.00000
     10       8.4312     -0.00000
     11       8.4811     -0.00000
     12      11.4351      0.00000
     13      11.8218      0.00000
     14      11.8871      0.00000
     15      11.9095      0.00000
     16      12.4907      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0257      1.00000
      4      -6.1007      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2634      1.00000
      8       5.2098     -0.00000
      9       5.9468     -0.00000
     10       8.4312     -0.00000
     11       8.4813     -0.00000
     12      11.4346      0.00000
     13      11.8076      0.00000
     14      11.9027      0.00000
     15      11.9967      0.00000
     16      12.6916      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0257      1.00000
      4      -6.1007      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2634      1.00000
      8       5.2098     -0.00000
      9       5.9468     -0.00000
     10       8.4309     -0.00000
     11       8.4813     -0.00000
     12      11.4345      0.00000
     13      11.7133      0.00000
     14      11.9085      0.00000
     15      11.9656      0.00000
     16      12.4617      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5320     -0.00000
     12       9.0685      0.00000
     13       9.4331      0.00000
     14       9.8642      0.00000
     15      10.1494      0.00000
     16      10.5982      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82207
      8       5.8559     -0.00000
      9       6.6157     -0.00000
     10       7.8591     -0.00000
     11       8.5319     -0.00000
     12       9.0636      0.00000
     13       9.4230      0.00000
     14       9.7731      0.00000
     15      10.1761      0.00000
     16      10.7174      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8559     -0.00000
      9       6.6157     -0.00000
     10       7.8586     -0.00000
     11       8.5319     -0.00000
     12       9.0625      0.00000
     13       9.4217      0.00000
     14       9.7871      0.00000
     15      10.3520      0.00000
     16      10.6842      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82209
      8       5.8558     -0.00000
      9       6.6159     -0.00000
     10       7.8590     -0.00000
     11       8.5319     -0.00000
     12       9.0667      0.00000
     13       9.4297      0.00000
     14       9.8103      0.00000
     15      10.2344      0.00000
     16      10.6079      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82208
      8       5.8560     -0.00000
      9       6.6157     -0.00000
     10       7.8590     -0.00000
     11       8.5320     -0.00000
     12       9.0639      0.00000
     13       9.4405      0.00000
     14       9.9169      0.00000
     15      10.1108      0.00000
     16      10.5942      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4415      1.00000
      2      -8.5857      1.00000
      3      -7.1847      1.00000
      4      -5.2531      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0685      0.82206
      8       5.8560     -0.00000
      9       6.6156     -0.00000
     10       7.8589     -0.00000
     11       8.5319     -0.00000
     12       9.0689      0.00000
     13       9.4161      0.00000
     14       9.9333      0.00000
     15      10.1350      0.00000
     16      10.5742      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1224     -0.00000
     12       7.8408     -0.00000
     13       8.1570      0.00000
     14       9.3807      0.00000
     15       9.5245      0.00000
     16      10.0311      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8128     -0.00002
      8       4.6697     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1227     -0.00000
     12       7.7928     -0.00000
     13       8.1602      0.00000
     14       9.3389      0.00000
     15       9.8470      0.00000
     16       9.9514      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6695     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1222     -0.00000
     12       7.7816     -0.00000
     13       8.1379      0.00000
     14       9.0740      0.00000
     15       9.9388      0.00000
     16      10.1176      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6697     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1227     -0.00000
     12       8.0063     -0.00000
     13       8.1639      0.00000
     14       9.1444      0.00000
     15       9.8554      0.00000
     16       9.8763      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1236     -0.00000
     12       7.7778     -0.00000
     13       8.1559      0.00000
     14       9.0515      0.00000
     15       9.8912      0.00000
     16      10.0478      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9831      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8128     -0.00002
      8       4.6696     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1221     -0.00000
     12       7.8155     -0.00000
     13       8.1492      0.00000
     14       9.2435      0.00000
     15       9.9739      0.00000
     16      10.0809      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00796
      9       3.4918     -0.01854
     10       5.2152     -0.00000
     11       5.9152     -0.00000
     12       7.3326     -0.00000
     13       8.5229      0.00000
     14       8.5518      0.00000
     15       8.9464      0.00000
     16       9.1097      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00798
      9       3.4918     -0.01855
     10       5.2152     -0.00000
     11       5.9152     -0.00000
     12       7.3327     -0.00000
     13       8.4428      0.00000
     14       8.5741      0.00000
     15       8.8787      0.00000
     16       9.2508      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9884      1.00000
      7       1.9292      1.00000
      8       2.9753      1.00788
      9       3.4918     -0.01854
     10       5.2153     -0.00000
     11       5.9154     -0.00000
     12       7.3326     -0.00000
     13       8.1745      0.00000
     14       8.8504      0.00000
     15       8.9062      0.00000
     16       8.9594      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3048      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00794
      9       3.4918     -0.01854
     10       5.2152     -0.00000
     11       5.9152     -0.00000
     12       7.3326     -0.00000
     13       8.5747      0.00000
     14       8.6131      0.00000
     15       8.7245      0.00000
     16       9.0650      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9884      1.00000
      7       1.9292      1.00000
      8       2.9752      1.00790
      9       3.4918     -0.01854
     10       5.2152     -0.00000
     11       5.9153     -0.00000
     12       7.3326     -0.00000
     13       8.4171      0.00000
     14       8.6560      0.00000
     15       8.8355      0.00000
     16       9.3251      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2365      1.00000
      4      -2.3047      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00795
      9       3.4918     -0.01855
     10       5.2152     -0.00000
     11       5.9156     -0.00000
     12       7.3328     -0.00000
     13       8.2946      0.00000
     14       8.7438      0.00000
     15       8.8728      0.00000
     16       9.0912      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6241      1.00000
      8       2.3061      1.00000
      9       2.6804      1.00215
     10       4.7304     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5352      0.00000
     14       8.0302      0.00000
     15       8.8991      0.00000
     16       9.9038      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3598      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7304     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5603      0.00000
     14       8.0655      0.00000
     15       8.9010      0.00000
     16       9.8766      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0278     -0.00000
     13       7.6285      0.00000
     14       8.0223      0.00000
     15       8.9595      0.00000
     16      10.0178      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6241      1.00000
      8       2.3061      1.00000
      9       2.6804      1.00215
     10       4.7305     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5733      0.00000
     14       8.0953      0.00000
     15       8.6605      0.00000
     16       9.7684      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7304     -0.00000
     11       4.9224     -0.00000
     12       7.0278     -0.00000
     13       8.2539      0.00000
     14       8.2772      0.00000
     15       8.8517      0.00000
     16       8.8970      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3598      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0277     -0.00000
     13       7.5429      0.00000
     14       8.1163      0.00000
     15       8.7756      0.00000
     16      10.5497      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1323      1.00000
      4      -4.1944      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9652     -0.00000
      8       6.0168     -0.00000
      9       6.4868     -0.00000
     10       7.1861     -0.00000
     11       7.3452     -0.00000
     12       7.4260     -0.00000
     13       7.7140      0.00000
     14       8.3560      0.00000
     15       9.4763      0.00000
     16       9.7769      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1323      1.00000
      4      -4.1944      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9652     -0.00000
      8       6.0169     -0.00000
      9       6.4868     -0.00000
     10       7.1862     -0.00000
     11       7.3461     -0.00000
     12       7.4260     -0.00000
     13       7.6699      0.00000
     14       8.5703      0.00000
     15       8.7161      0.00000
     16       9.8815      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1323      1.00000
      4      -4.1944      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9651     -0.00000
      8       6.0168     -0.00000
      9       6.4864     -0.00000
     10       7.1861     -0.00000
     11       7.3449     -0.00000
     12       7.4260     -0.00000
     13       7.7360      0.00000
     14       8.5334      0.00000
     15       8.6655      0.00000
     16       9.8391      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59488
      8       4.0441     -0.00000
      9       5.0823     -0.00000
     10       5.3221     -0.00000
     11       5.8872     -0.00000
     12       6.4467     -0.00000
     13       7.3010      0.00000
     14       8.0197      0.00000
     15       8.0502      0.00000
     16       8.6304      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59476
      8       4.0441     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8870     -0.00000
     12       6.4466     -0.00000
     13       7.0971      0.00000
     14       8.1529      0.00000
     15       8.1621      0.00000
     16       8.6711      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0703      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1589      1.00000
      7       3.1287      0.59477
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8871     -0.00000
     12       6.4467     -0.00000
     13       7.1591      0.00000
     14       7.9154      0.00000
     15       8.3459      0.00000
     16       8.6228      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0703      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59473
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3221     -0.00000
     11       5.8872     -0.00000
     12       6.4468     -0.00000
     13       7.6914      0.00000
     14       7.7906      0.00000
     15       8.2780      0.00000
     16       8.2861      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1589      1.00000
      7       3.1286      0.59490
      8       4.0441     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8871     -0.00000
     12       6.4466     -0.00000
     13       7.1872      0.00000
     14       8.1483      0.00000
     15       8.2497      0.00000
     16       8.4399      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7190      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59476
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8873     -0.00000
     12       6.4468     -0.00000
     13       7.5138      0.00000
     14       7.8498      0.00000
     15       8.2472      0.00000
     16       8.4388      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8840      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6939      1.00000
      8       2.5621      1.00013
      9       4.0688     -0.00000
     10       4.2878     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.9529      0.00000
     14       7.1380      0.00000
     15       7.6315      0.00000
     16       8.8201      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8840      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0688     -0.00000
     10       4.2878     -0.00000
     11       4.8619     -0.00000
     12       5.6850     -0.00000
     13       6.7042      0.00000
     14       7.4420      0.00000
     15       7.4674      0.00000
     16       8.8158      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8841      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5621      1.00013
      9       4.0688     -0.00000
     10       4.2879     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.6457      0.00000
     14       7.4331      0.00000
     15       7.4657      0.00000
     16       8.8930      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8841      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6939      1.00000
      8       2.5621      1.00013
      9       4.0688     -0.00000
     10       4.2879     -0.00000
     11       4.8619     -0.00000
     12       5.6852     -0.00000
     13       6.6664      0.00000
     14       7.3840      0.00000
     15       7.5658      0.00000
     16       8.8341      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8840      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0688     -0.00000
     10       4.2879     -0.00000
     11       4.8619     -0.00000
     12       5.6852     -0.00000
     13       6.6593      0.00000
     14       7.4993      0.00000
     15       7.6713      0.00000
     16       8.6503      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8840      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0688     -0.00000
     10       4.2879     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.6553      0.00000
     14       7.4095      0.00000
     15       7.6009      0.00000
     16       9.2085      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7267      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7262      1.00000
      6      -0.3211      1.00000
      7       1.2625      1.00000
      8       1.9952      1.00000
      9       3.7728     -0.00005
     10       3.9144     -0.00000
     11       4.7024     -0.00000
     12       5.7206     -0.00000
     13       6.4595      0.00000
     14       6.8123      0.00000
     15       7.0199      0.00000
     16       8.9731      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7267      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7261      1.00000
      6      -0.3211      1.00000
      7       1.2625      1.00000
      8       1.9950      1.00000
      9       3.7728     -0.00005
     10       3.9144     -0.00000
     11       4.7024     -0.00000
     12       5.7206     -0.00000
     13       6.6359      0.00000
     14       6.6607      0.00000
     15       6.9684      0.00000
     16       9.0208      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7267      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7261      1.00000
      6      -0.3212      1.00000
      7       1.2624      1.00000
      8       1.9952      1.00000
      9       3.7728     -0.00005
     10       3.9144     -0.00000
     11       4.7024     -0.00000
     12       5.7208     -0.00000
     13       6.6233      0.00000
     14       6.8155      0.00000
     15       6.8234      0.00000
     16       8.9198      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2572      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0632      1.00000
      5       1.1547      1.00000
      6       2.0893      1.00000
      7       2.2460      1.00000
      8       2.9410      1.02952
      9       3.3817     -0.03464
     10       4.1937     -0.00000
     11       4.4745     -0.00000
     12       4.8280     -0.00000
     13       6.3214      0.00000
     14       7.0286      0.00000
     15       7.0514      0.00000
     16       8.7454      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2572      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0632      1.00000
      5       1.1547      1.00000
      6       2.0893      1.00000
      7       2.2460      1.00000
      8       2.9410      1.02955
      9       3.3816     -0.03464
     10       4.1935     -0.00000
     11       4.4745     -0.00000
     12       4.8281     -0.00000
     13       6.6299      0.00000
     14       6.7220      0.00000
     15       7.2057      0.00000
     16       8.8089      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2572      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0633      1.00000
      5       1.1546      1.00000
      6       2.0893      1.00000
      7       2.2460      1.00000
      8       2.9410      1.02950
      9       3.3817     -0.03464
     10       4.1937     -0.00000
     11       4.4746     -0.00000
     12       4.8280     -0.00000
     13       6.3346      0.00000
     14       6.8753      0.00000
     15       7.2301      0.00000
     16       8.6672      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8172      1.00000
      9       2.4998      1.00002
     10       3.1785      0.38315
     11       4.1409     -0.00000
     12       4.6451     -0.00000
     13       6.1751      0.00000
     14       6.2340      0.00000
     15       6.2951      0.00000
     16       8.1705      0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8178      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4997      1.00002
     10       3.1784      0.38404
     11       4.1410     -0.00000
     12       4.6452     -0.00000
     13       6.0905      0.00000
     14       6.2380      0.00000
     15       6.3291      0.00000
     16       8.3577      0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1786      0.38296
     11       4.1410     -0.00000
     12       4.6451     -0.00000
     13       6.1548      0.00000
     14       6.1693      0.00000
     15       6.3148      0.00000
     16       8.5643      0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8172      1.00000
      9       2.4998      1.00002
     10       3.1786      0.38278
     11       4.1410     -0.00000
     12       4.6451     -0.00000
     13       6.1235      0.00000
     14       6.2852      0.00000
     15       6.3884      0.00000
     16       8.2160      0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1785      0.38354
     11       4.1410     -0.00000
     12       4.6452     -0.00000
     13       6.0614      0.00000
     14       6.2798      0.00000
     15       6.6596      0.00000
     16       7.9110      0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8178      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1784      0.38368
     11       4.1410     -0.00000
     12       4.6451     -0.00000
     13       6.1687      0.00000
     14       6.1922      0.00000
     15       6.2724      0.00000
     16       8.4327      0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8805      1.00000
      3      -0.8407      1.00000
      4      -0.0661      1.00000
      5      -0.0176      1.00000
      6      -0.0176      1.00000
      7       1.0481      1.00000
      8       1.0482      1.00000
      9       1.7700      1.00000
     10       2.7020      1.00338
     11       4.1207     -0.00000
     12       4.1207     -0.00000
     13       6.0087      0.00000
     14       6.0499      0.00000
     15       6.0560      0.00000
     16       7.9867      0.00000
 Fermi energy:         3.1510189832

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9013      1.00000
      2     -10.0493      1.00000
      3      -8.6560      1.00000
      4      -6.7364      1.00000
      5      -4.3238      1.00000
      6      -1.5872      1.00000
      7       1.6291      1.00000
      8       4.6694     -0.00000
      9       5.4259     -0.00000
     10       7.9392     -0.00000
     11       8.0079     -0.00000
     12      11.9061      0.00000
     13      12.1954      0.00000
     14      16.4492      0.00000
     15      16.5086      0.00000
     16      16.5752      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1071     -0.00000
     11       8.1735     -0.00000
     12      12.1197      0.00000
     13      12.5996      0.00000
     14      12.7286      0.00000
     15      13.8078      0.00000
     16      14.5196      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1071     -0.00000
     11       8.1734     -0.00000
     12      12.1196      0.00000
     13      12.6165      0.00000
     14      12.7054      0.00000
     15      13.8293      0.00000
     16      14.3254      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6928      1.00000
      2      -9.8404      1.00000
      3      -8.4460      1.00000
      4      -6.5245      1.00000
      5      -4.1077      1.00000
      6      -1.3770      1.00000
      7       1.8428      1.00000
      8       4.8518     -0.00000
      9       5.6002     -0.00000
     10       8.1066     -0.00000
     11       8.1734     -0.00000
     12      12.0950      0.00000
     13      12.6761      0.00000
     14      12.6875      0.00000
     15      13.8902      0.00000
     16      14.4582      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8889      1.00000
      5      -3.4608      1.00000
      6      -0.7477      1.00000
      7       2.4691      1.00001
      8       5.3815     -0.00000
      9       6.1180     -0.00000
     10       8.4925     -0.00000
     11       8.6423     -0.00000
     12       9.7334      0.00000
     13      10.2398      0.00000
     14      11.3605      0.00000
     15      12.5667      0.00000
     16      12.9156      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8889      1.00000
      5      -3.4608      1.00000
      6      -0.7477      1.00000
      7       2.4691      1.00001
      8       5.3814     -0.00000
      9       6.1180     -0.00000
     10       8.4931     -0.00000
     11       8.6422     -0.00000
     12       9.7332      0.00000
     13      10.2613      0.00000
     14      11.4248      0.00000
     15      12.5068      0.00000
     16      12.6739      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0672      1.00000
      2      -9.2132      1.00000
      3      -7.8156      1.00000
      4      -5.8889      1.00000
      5      -3.4608      1.00000
      6      -0.7477      1.00000
      7       2.4691      1.00001
      8       5.3814     -0.00000
      9       6.1180     -0.00000
     10       8.4926     -0.00000
     11       8.6454     -0.00000
     12       9.7333      0.00000
     13      10.2299      0.00000
     14      11.6706      0.00000
     15      12.4770      0.00000
     16      12.5807      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8296      1.00000
      5      -2.3889      1.00000
      6       0.2898      1.00000
      7       3.4255     -0.03292
      8       5.6447     -0.00000
      9       6.5587     -0.00000
     10       6.8242     -0.00000
     11       7.0669     -0.00000
     12       8.0302     -0.00000
     13       9.4745      0.00000
     14       9.7251      0.00000
     15       9.9981      0.00000
     16      11.2759      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8296      1.00000
      5      -2.3889      1.00000
      6       0.2898      1.00000
      7       3.4255     -0.03292
      8       5.6446     -0.00000
      9       6.5584     -0.00000
     10       6.8240     -0.00000
     11       7.0659     -0.00000
     12       8.0301     -0.00000
     13       9.4420      0.00000
     14       9.6340      0.00000
     15       9.7628      0.00000
     16      11.6825      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.1670      1.00000
      3      -6.7639      1.00000
      4      -4.8296      1.00000
      5      -2.3889      1.00000
      6       0.2898      1.00000
      7       3.4255     -0.03292
      8       5.6447     -0.00000
      9       6.5587     -0.00000
     10       6.8241     -0.00000
     11       7.0660     -0.00000
     12       8.0302     -0.00000
     13       9.4419      0.00000
     14       9.6586      0.00000
     15       9.7437      0.00000
     16      11.6243      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5610      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3508      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02364
      9       4.7636     -0.00000
     10       5.1396     -0.00000
     11       6.5476     -0.00000
     12       7.6920     -0.00000
     13       8.2819      0.00000
     14       8.8920      0.00000
     15      10.4237      0.00000
     16      10.7371      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5610      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3508      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02364
      9       4.7636     -0.00000
     10       5.1397     -0.00000
     11       6.5476     -0.00000
     12       7.6944     -0.00000
     13       8.3374      0.00000
     14       8.9209      0.00000
     15      10.2854      0.00000
     16      10.8020      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5610      1.00000
      2      -6.6994      1.00000
      3      -5.2894      1.00000
      4      -3.3508      1.00000
      5      -0.9239      1.00000
      6       1.5745      1.00000
      7       2.5403      1.00007
      8       3.4688     -0.02365
      9       4.7636     -0.00000
     10       5.1398     -0.00000
     11       6.5476     -0.00000
     12       7.6950     -0.00000
     13       8.2619      0.00000
     14       8.7501      0.00000
     15      10.6483      0.00000
     16      10.6933      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3971      1.00000
      4      -1.5015      1.00000
      5      -0.6734      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6647     -0.00086
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7191     -0.00000
     13       8.5807      0.00000
     14       9.1606      0.00000
     15       9.6589      0.00000
     16      10.4884      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3972      1.00000
      4      -1.5015      1.00000
      5      -0.6734      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6647     -0.00086
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7186     -0.00000
     13       8.3586      0.00000
     14       9.3071      0.00000
     15       9.5975      0.00000
     16      10.6110      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6745      1.00000
      2      -4.8078      1.00000
      3      -3.3972      1.00000
      4      -1.5015      1.00000
      5      -0.6734      1.00000
      6       0.0640      1.00000
      7       1.1034      1.00000
      8       1.9911      1.00000
      9       3.6647     -0.00086
     10       3.7528     -0.00009
     11       5.9454     -0.00000
     12       6.7184     -0.00000
     13       8.3193      0.00000
     14       9.3329      0.00000
     15       9.5931      0.00000
     16      10.6355      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3521      1.00000
      3      -2.5206      1.00000
      4      -2.4886      1.00000
      5      -1.3396      1.00000
      6      -0.9345      1.00000
      7       0.6622      1.00000
      8       1.4057      1.00000
      9       3.3991     -0.03542
     10       3.5317     -0.01081
     11       5.6825     -0.00000
     12       6.0196     -0.00000
     13       8.4942      0.00000
     14       8.8762      0.00000
     15      10.8125      0.00000
     16      11.2669      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3521      1.00000
      3      -2.5206      1.00000
      4      -2.4887      1.00000
      5      -1.3397      1.00000
      6      -0.9346      1.00000
      7       0.6622      1.00000
      8       1.4058      1.00000
      9       3.3991     -0.03542
     10       3.5316     -0.01082
     11       5.6825     -0.00000
     12       6.0195     -0.00000
     13       8.4875      0.00000
     14       8.8425      0.00000
     15      10.8038      0.00000
     16      11.0582      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3776      1.00000
      2      -3.3521      1.00000
      3      -2.5206      1.00000
      4      -2.4886      1.00000
      5      -1.3397      1.00000
      6      -0.9345      1.00000
      7       0.6623      1.00000
      8       1.4057      1.00000
      9       3.3991     -0.03542
     10       3.5317     -0.01081
     11       5.6824     -0.00000
     12       6.0195     -0.00000
     13       8.5181      0.00000
     14       8.8509      0.00000
     15      10.6815      0.00000
     16      11.4456      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0258      1.00000
      4      -6.1008      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2632      1.00000
      8       5.2097     -0.00000
      9       5.9468     -0.00000
     10       8.4308     -0.00000
     11       8.4813     -0.00000
     12      11.4345      0.00000
     13      11.7034      0.00000
     14      11.8960      0.00000
     15      11.9500      0.00000
     16      12.5778      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0258      1.00000
      4      -6.1008      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2632      1.00000
      8       5.2097     -0.00000
      9       5.9468     -0.00000
     10       8.4312     -0.00000
     11       8.4813     -0.00000
     12      11.4345      0.00000
     13      11.7664      0.00000
     14      11.8157      0.00000
     15      11.9175      0.00000
     16      12.6046      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2758      1.00000
      2      -9.4223      1.00000
      3      -8.0258      1.00000
      4      -6.1008      1.00000
      5      -3.6762      1.00000
      6      -0.9571      1.00000
      7       2.2632      1.00000
      8       5.2097     -0.00000
      9       5.9468     -0.00000
     10       8.4314     -0.00000
     11       8.4812     -0.00000
     12      11.4363      0.00000
     13      11.7745      0.00000
     14      11.8545      0.00000
     15      11.9378      0.00000
     16      12.6379      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82253
      8       5.8558     -0.00000
      9       6.6158     -0.00000
     10       7.8589     -0.00000
     11       8.5319     -0.00000
     12       9.0655      0.00000
     13       9.4386      0.00000
     14       9.8119      0.00000
     15      10.1515      0.00000
     16      10.6331      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82250
      8       5.8558     -0.00000
      9       6.6159     -0.00000
     10       7.8591     -0.00000
     11       8.5320     -0.00000
     12       9.0675      0.00000
     13       9.4203      0.00000
     14       9.7880      0.00000
     15      10.4477      0.00000
     16      10.6294      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82251
      8       5.8559     -0.00000
      9       6.6158     -0.00000
     10       7.8591     -0.00000
     11       8.5319     -0.00000
     12       9.0624      0.00000
     13       9.4226      0.00000
     14       9.8337      0.00000
     15      10.1764      0.00000
     16      10.6305      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82251
      8       5.8559     -0.00000
      9       6.6158     -0.00000
     10       7.8595     -0.00000
     11       8.5321     -0.00000
     12       9.0663      0.00000
     13       9.4294      0.00000
     14       9.8121      0.00000
     15      10.2820      0.00000
     16      10.5373      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82249
      8       5.8560     -0.00000
      9       6.6163     -0.00000
     10       7.8594     -0.00000
     11       8.5321     -0.00000
     12       9.0732      0.00000
     13       9.4353      0.00000
     14       9.9354      0.00000
     15      10.1806      0.00000
     16      10.4957      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4414      1.00000
      2      -8.5857      1.00000
      3      -7.1848      1.00000
      4      -5.2532      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0684      0.82253
      8       5.8561     -0.00000
      9       6.6160     -0.00000
     10       7.8597     -0.00000
     11       8.5320     -0.00000
     12       9.0813      0.00000
     13       9.4429      0.00000
     14       9.8669      0.00000
     15      10.2311      0.00000
     16      10.4757      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1249     -0.00000
     12       7.8451     -0.00000
     13       8.1532      0.00000
     14       9.1395      0.00000
     15       9.7859      0.00000
     16       9.9289      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6695     -0.00000
      9       5.3525     -0.00000
     10       6.4797     -0.00000
     11       7.1220     -0.00000
     12       7.7904     -0.00000
     13       8.1467      0.00000
     14       9.2126      0.00000
     15       9.6903      0.00000
     16      10.1993      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1250     -0.00000
     12       7.8020     -0.00000
     13       8.1602      0.00000
     14       9.1109      0.00000
     15       9.8618      0.00000
     16       9.9583      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3526     -0.00000
     10       6.4798     -0.00000
     11       7.1239     -0.00000
     12       7.7912     -0.00000
     13       8.1537      0.00000
     14       9.1394      0.00000
     15       9.6712      0.00000
     16      10.2829      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6695     -0.00000
      9       5.3525     -0.00000
     10       6.4798     -0.00000
     11       7.1237     -0.00000
     12       7.8127     -0.00000
     13       8.1528      0.00000
     14       9.2023      0.00000
     15       9.8615      0.00000
     16       9.8627      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.3290      1.00000
      3      -5.9216      1.00000
      4      -3.9832      1.00000
      5      -1.5418      1.00000
      6       1.0951      1.00000
      7       3.8127     -0.00002
      8       4.6696     -0.00000
      9       5.3525     -0.00000
     10       6.4797     -0.00000
     11       7.1237     -0.00000
     12       7.8288     -0.00000
     13       8.1550      0.00000
     14       9.4703      0.00000
     15       9.4719      0.00000
     16       9.7052      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5141      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3048      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00795
      9       3.4918     -0.01855
     10       5.2151     -0.00000
     11       5.9153     -0.00000
     12       7.3326     -0.00000
     13       8.7249      0.00000
     14       8.8026      0.00000
     15       8.9310      0.00000
     16       8.9767      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3049      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9292      1.00000
      8       2.9752      1.00793
      9       3.4918     -0.01855
     10       5.2151     -0.00000
     11       5.9151     -0.00000
     12       7.3326     -0.00000
     13       8.2779      0.00000
     14       8.7927      0.00000
     15       8.9197      0.00000
     16       9.0041      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5141      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3049      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00802
      9       3.4918     -0.01855
     10       5.2152     -0.00000
     11       5.9154     -0.00000
     12       7.3327     -0.00000
     13       8.3653      0.00000
     14       8.6674      0.00000
     15       8.9667      0.00000
     16       9.1440      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5141      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3049      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9752      1.00797
      9       3.4918     -0.01855
     10       5.2151     -0.00000
     11       5.9155     -0.00000
     12       7.3328     -0.00000
     13       8.4084      0.00000
     14       8.6920      0.00000
     15       8.8174      0.00000
     16       9.0980      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5141      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3049      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9293      1.00000
      8       2.9751      1.00803
      9       3.4918     -0.01854
     10       5.2151     -0.00000
     11       5.9152     -0.00000
     12       7.3328     -0.00000
     13       8.2457      0.00000
     14       8.7772      0.00000
     15       8.8098      0.00000
     16       9.0783      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5142      1.00000
      2      -5.6493      1.00000
      3      -4.2366      1.00000
      4      -2.3048      1.00000
      5       0.0234      1.00000
      6       0.9885      1.00000
      7       1.9292      1.00000
      8       2.9752      1.00791
      9       3.4918     -0.01855
     10       5.2152     -0.00000
     11       5.9153     -0.00000
     12       7.3327     -0.00000
     13       8.3188      0.00000
     14       8.7522      0.00000
     15       8.9102      0.00000
     16       8.9623      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6239      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0278     -0.00000
     13       7.5180      0.00000
     14       8.6760      0.00000
     15       8.8950      0.00000
     16       9.4670      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00214
     10       4.7304     -0.00000
     11       4.9223     -0.00000
     12       7.0277     -0.00000
     13       7.7947      0.00000
     14       7.8024      0.00000
     15       8.7719      0.00000
     16      10.1651      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9223     -0.00000
     12       7.0277     -0.00000
     13       7.5176      0.00000
     14       8.0434      0.00000
     15       8.8578      0.00000
     16       9.8667      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6239      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9225     -0.00000
     12       7.0278     -0.00000
     13       7.7492      0.00000
     14       7.7963      0.00000
     15       9.0878      0.00000
     16       9.4686      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3059      1.00000
      9       2.6804      1.00215
     10       4.7303     -0.00000
     11       4.9224     -0.00000
     12       7.0276     -0.00000
     13       7.5681      0.00000
     14       8.0186      0.00000
     15       9.3723      0.00000
     16       9.7955      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.5486      1.00000
      3      -2.1547      1.00000
      4      -1.9032      1.00000
      5      -1.0991      1.00000
      6      -0.3599      1.00000
      7       0.6240      1.00000
      8       2.3060      1.00000
      9       2.6804      1.00214
     10       4.7304     -0.00000
     11       4.9223     -0.00000
     12       7.0279     -0.00000
     13       7.5332      0.00000
     14       8.0827      0.00000
     15       8.7546      0.00000
     16       9.9846      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1324      1.00000
      4      -4.1945      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9650     -0.00000
      8       6.0167     -0.00000
      9       6.4865     -0.00000
     10       7.1861     -0.00000
     11       7.3451     -0.00000
     12       7.4259     -0.00000
     13       7.6373      0.00000
     14       8.5612      0.00000
     15       9.0567      0.00000
     16       9.8212      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1324      1.00000
      4      -4.1945      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9650     -0.00000
      8       6.0168     -0.00000
      9       6.4863     -0.00000
     10       7.1862     -0.00000
     11       7.3457     -0.00000
     12       7.4260     -0.00000
     13       7.6196      0.00000
     14       8.5051      0.00000
     15       9.2917      0.00000
     16       9.8976      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3977      1.00000
      2      -7.5387      1.00000
      3      -6.1324      1.00000
      4      -4.1945      1.00000
      5      -1.7513      1.00000
      6       0.9039      1.00000
      7       3.9651     -0.00000
      8       6.0167     -0.00000
      9       6.4867     -0.00000
     10       7.1861     -0.00000
     11       7.3448     -0.00000
     12       7.4259     -0.00000
     13       7.7581      0.00000
     14       8.8491      0.00000
     15       9.1245      0.00000
     16       9.7302      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59462
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8872     -0.00000
     12       6.4467     -0.00000
     13       7.0818      0.00000
     14       7.9974      0.00000
     15       8.3953      0.00000
     16       8.5345      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1589      1.00000
      7       3.1286      0.59491
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3221     -0.00000
     11       5.8875     -0.00000
     12       6.4469     -0.00000
     13       7.1903      0.00000
     14       8.2689      0.00000
     15       8.2696      0.00000
     16       8.3087      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9338      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59474
      8       4.0441     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8872     -0.00000
     12       6.4467     -0.00000
     13       7.2167      0.00000
     14       8.3564      0.00000
     15       8.3784      0.00000
     16       8.8210      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9338      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59471
      8       4.0442     -0.00000
      9       5.0823     -0.00000
     10       5.3220     -0.00000
     11       5.8872     -0.00000
     12       6.4467     -0.00000
     13       7.0980      0.00000
     14       7.9719      0.00000
     15       8.4739      0.00000
     16       8.4753      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1287      0.59458
      8       4.0441     -0.00000
      9       5.0822     -0.00000
     10       5.3220     -0.00000
     11       5.8871     -0.00000
     12       6.4466     -0.00000
     13       7.1386      0.00000
     14       7.8399      0.00000
     15       8.3920      0.00000
     16       8.6477      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9339      1.00000
      2      -6.0702      1.00000
      3      -4.6578      1.00000
      4      -2.7191      1.00000
      5      -0.3041      1.00000
      6       2.1590      1.00000
      7       3.1286      0.59499
      8       4.0442     -0.00000
      9       5.0824     -0.00000
     10       5.3219     -0.00000
     11       5.8872     -0.00000
     12       6.4468     -0.00000
     13       7.0239      0.00000
     14       8.1625      0.00000
     15       8.1872      0.00000
     16       8.6419      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8841      1.00000
      5      -0.0566      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0687     -0.00000
     10       4.2878     -0.00000
     11       4.8618     -0.00000
     12       5.6851     -0.00000
     13       6.6971      0.00000
     14       7.3718      0.00000
     15       7.5101      0.00000
     16       9.0045      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8842      1.00000
      5      -0.0566      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5621      1.00013
      9       4.0688     -0.00000
     10       4.2878     -0.00000
     11       4.8619     -0.00000
     12       5.6850     -0.00000
     13       7.1076      0.00000
     14       7.1753      0.00000
     15       7.3690      0.00000
     16       9.1517      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8842      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6939      1.00000
      8       2.5620      1.00013
      9       4.0687     -0.00000
     10       4.2879     -0.00000
     11       4.8620     -0.00000
     12       5.6851     -0.00000
     13       6.7312      0.00000
     14       7.4571      0.00000
     15       7.4710      0.00000
     16       8.7983      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8842      1.00000
      5      -0.0566      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0687     -0.00000
     10       4.2878     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.7023      0.00000
     14       7.3930      0.00000
     15       7.4956      0.00000
     16       9.1145      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8842      1.00000
      5      -0.0566      1.00000
      6       0.6660      1.00000
      7       1.6939      1.00000
      8       2.5620      1.00013
      9       4.0687     -0.00000
     10       4.2878     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.8114      0.00000
     14       7.3456      0.00000
     15       7.4919      0.00000
     16       8.9104      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0465      1.00000
      2      -4.1792      1.00000
      3      -2.7692      1.00000
      4      -0.8842      1.00000
      5      -0.0567      1.00000
      6       0.6659      1.00000
      7       1.6938      1.00000
      8       2.5620      1.00013
      9       4.0688     -0.00000
     10       4.2877     -0.00000
     11       4.8619     -0.00000
     12       5.6851     -0.00000
     13       6.7393      0.00000
     14       7.3717      0.00000
     15       7.5951      0.00000
     16       8.7678      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7266      1.00000
      3      -1.8874      1.00000
      4      -1.8767      1.00000
      5      -0.7261      1.00000
      6      -0.3211      1.00000
      7       1.2623      1.00000
      8       1.9949      1.00000
      9       3.7727     -0.00005
     10       3.9145     -0.00000
     11       4.7024     -0.00000
     12       5.7209     -0.00000
     13       6.5660      0.00000
     14       6.7441      0.00000
     15       7.0115      0.00000
     16       8.7724      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7267      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7262      1.00000
      6      -0.3212      1.00000
      7       1.2624      1.00000
      8       1.9950      1.00000
      9       3.7728     -0.00005
     10       3.9143     -0.00000
     11       4.7024     -0.00000
     12       5.7209     -0.00000
     13       6.5029      0.00000
     14       6.7475      0.00000
     15       7.0478      0.00000
     16       8.7725      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7515      1.00000
      2      -2.7266      1.00000
      3      -1.8874      1.00000
      4      -1.8768      1.00000
      5      -0.7262      1.00000
      6      -0.3211      1.00000
      7       1.2624      1.00000
      8       1.9949      1.00000
      9       3.7728     -0.00005
     10       3.9146     -0.00000
     11       4.7024     -0.00000
     12       5.7208     -0.00000
     13       6.4807      0.00000
     14       6.8813      0.00000
     15       6.9043      0.00000
     16       8.8608      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2572      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0633      1.00000
      5       1.1547      1.00000
      6       2.0893      1.00000
      7       2.2461      1.00000
      8       2.9410      1.02952
      9       3.3816     -0.03463
     10       4.1935     -0.00000
     11       4.4745     -0.00000
     12       4.8281     -0.00000
     13       6.4289      0.00000
     14       6.9234      0.00000
     15       7.3584      0.00000
     16       8.4275      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2572      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0634      1.00000
      5       1.1547      1.00000
      6       2.0893      1.00000
      7       2.2461      1.00000
      8       2.9411      1.02948
      9       3.3816     -0.03464
     10       4.1936     -0.00000
     11       4.4746     -0.00000
     12       4.8280     -0.00000
     13       6.2776      0.00000
     14       6.9770      0.00000
     15       7.1564      0.00000
     16       8.6866      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2571      1.00000
      2      -4.3900      1.00000
      3      -2.9770      1.00000
      4      -1.0634      1.00000
      5       1.1546      1.00000
      6       2.0893      1.00000
      7       2.2461      1.00000
      8       2.9410      1.02951
      9       3.3816     -0.03463
     10       4.1935     -0.00000
     11       4.4744     -0.00000
     12       4.8280     -0.00000
     13       6.3292      0.00000
     14       6.9417      0.00000
     15       7.3082      0.00000
     16       8.5739      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6588      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4997      1.00002
     10       3.1783      0.38420
     11       4.1410     -0.00000
     12       4.6451     -0.00000
     13       6.1515      0.00000
     14       6.1932      0.00000
     15       6.2989      0.00000
     16       8.2621      0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8176      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1785      0.38313
     11       4.1409     -0.00000
     12       4.6450     -0.00000
     13       6.0881      0.00000
     14       6.2020      0.00000
     15       6.3456      0.00000
     16       8.3226      0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6588      1.00000
      5       0.1247      1.00000
      6       0.8176      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1784      0.38392
     11       4.1410     -0.00000
     12       4.6450     -0.00000
     13       6.1561      0.00000
     14       6.2562      0.00000
     15       6.2586      0.00000
     16       8.2967      0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9173      1.00000
      4      -0.6588      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4997      1.00002
     10       3.1784      0.38389
     11       4.1410     -0.00000
     12       4.6450     -0.00000
     13       6.1618      0.00000
     14       6.2294      0.00000
     15       6.2555      0.00000
     16       8.6015      0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6588      1.00000
      5       0.1247      1.00000
      6       0.8177      1.00000
      7       1.7438      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1784      0.38371
     11       4.1410     -0.00000
     12       4.6450     -0.00000
     13       6.1790      0.00000
     14       6.1837      0.00000
     15       6.2750      0.00000
     16       8.2901      0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1587      1.00000
      2      -2.2965      1.00000
      3      -0.9174      1.00000
      4      -0.6589      1.00000
      5       0.1247      1.00000
      6       0.8176      1.00000
      7       1.7437      1.00000
      8       1.8171      1.00000
      9       2.4998      1.00002
     10       3.1785      0.38347
     11       4.1409     -0.00000
     12       4.6451     -0.00000
     13       6.1184      0.00000
     14       6.2486      0.00000
     15       6.2875      0.00000
     16       8.3499      0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8805      1.00000
      3      -0.8406      1.00000
      4      -0.0660      1.00000
      5      -0.0177      1.00000
      6      -0.0176      1.00000
      7       1.0481      1.00000
      8       1.0482      1.00000
      9       1.7700      1.00000
     10       2.7019      1.00337
     11       4.1203     -0.00000
     12       4.1205     -0.00000
     13       6.0197      0.00000
     14       6.0368      0.00000
     15       6.1546      0.00000
     16       7.8859      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881   0.000   0.000   5.469   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.760   0.000   0.000
 -0.006  -0.010   0.000   5.469   0.000   0.000  15.767   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.760
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.881   0.000   0.000   5.469   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.760   0.000   0.000
 -0.006  -0.010   0.000   5.469   0.000   0.000  15.767   0.000
 -0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.760
 total augmentation occupancy for first ion, spin component:           1
115.779 -61.839  -0.000  -0.065  -0.000   0.000  -0.025   0.000
-61.839  33.029   0.000   0.025   0.000  -0.000   0.015  -0.000
 -0.000   0.000   2.073  -0.000  -0.000  -0.322   0.000  -0.000
 -0.065   0.025  -0.000   1.745  -0.000   0.000  -0.267   0.000
 -0.000   0.000  -0.000  -0.000   2.073   0.000   0.000  -0.322
  0.000  -0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.025   0.015   0.000  -0.267   0.000  -0.000   0.041  -0.000
  0.000  -0.000  -0.000   0.000  -0.322  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.007   0.004  -0.000   0.001   0.000   0.000  -0.000  -0.000
  0.004  -0.002   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.001  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    413.0199: real time    416.1218
    FORNL :  cpu time      0.4971: real time      0.5030
    FORCOR:  cpu time      1.9677: real time      1.9793
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.403E-04 -.517E-04 0.183E+03   0.436E-13 0.276E-13 -.182E+03   -.108E-03 0.542E-04 -.126E+01
   0.735E-05 0.220E-03 0.913E+02   -.299E-14 0.229E-14 -.913E+02   0.388E-04 -.198E-03 0.194E+00
   -.284E-03 -.225E-03 0.104E-02   -.135E-12 -.815E-13 0.581E-11   0.303E-03 0.239E-03 -.154E-02
   0.399E-04 0.213E-03 -.913E+02   0.132E-12 0.810E-13 0.913E+02   -.711E-04 -.234E-03 -.195E+00
   -.278E-03 0.508E-04 -.183E+03   -.476E-13 -.263E-13 0.182E+03   0.292E-03 -.599E-04 0.126E+01
 -----------------------------------------------------------------------------------------------
   -.497E-03 0.219E-03 0.118E-02   -.971E-14 0.313E-14 -.568E-13   0.454E-03 -.198E-03 -.170E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000061     -0.000000     -0.138686
      0.00000      0.00000      2.33311         0.000050      0.000022      0.146685
      1.42873      0.82488      4.66621         0.000019      0.000007     -0.000298
      2.85746      1.64976      6.99932        -0.000023     -0.000018     -0.146145
      0.00000      0.00000      9.33242         0.000016     -0.000011      0.138444
 -----------------------------------------------------------------------------------
    total drift:                               -0.000031      0.000013     -0.000586


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.89846737 eV

  energy  without entropy=      -13.89414200  energy(sigma->0) =      -13.89702558
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9620: real time      1.9739


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.299E-02   g(Stress)= 0.000E+00

 Reset! Starting new Quasi-Newton update for ions 


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2309: real time      1.3608
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0854: real time      0.0858
    POTLOK:  cpu time      1.9660: real time      1.9779
    EDDIAG:  cpu time    584.6427: real time    589.7594
    CHARGE:  cpu time      0.2656: real time      0.2678
 writing wavefunctions
     LOOP+:  cpu time  18080.1649: real time  18239.7254


--------------------------------------- Iteration      2(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2363: real time      1.2420
    TRIAL :  cpu time    584.4920: real time    589.5752
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    586.7311: real time    591.8292

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7558924E-03  (-0.2194935E-02)
 number of electron      15.0000000 magnetization      -0.0000595
 augmentation part       -0.0007178 magnetization      -0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -705.23872543
  -exchange      EXHF   =        33.30082147
  -V(xc)+E(xc)   XCENC  =       -83.53590666
  PAW double counting   =    100933.71684844  -100832.75969694
  entropy T*S    EENTRO =        -0.00497939
  eigenvalues    EBANDS =       -34.65479686
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89770266 eV

  energy without entropy =      -13.89272327  energy(sigma->0) =      -13.89604286
  exchange ACFDT corr.  =        -0.00524910  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2370: real time      1.2425
    TRIAL :  cpu time    585.4692: real time    590.6004
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2647: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    587.6983: real time    592.8434

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1462952E-02  (-0.1501318E-02)
 number of electron      15.0000000 magnetization      -0.0000595
 augmentation part       -0.0007164 magnetization      -0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.52757164
  -exchange      EXHF   =        33.29710208
  -V(xc)+E(xc)   XCENC  =       -83.53730187
  PAW double counting   =    100920.90805176  -100819.95081082
  entropy T*S    EENTRO =        -0.00499872
  eigenvalues    EBANDS =       -35.36239409
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89916561 eV

  energy without entropy =      -13.89416689  energy(sigma->0) =      -13.89749937
  exchange ACFDT corr.  =        -0.00526485  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7271
    SETDIJ:  cpu time      1.2353: real time      1.2410
    TRIAL :  cpu time    586.6984: real time    591.8336
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    588.9261: real time    594.0754

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9827864E-03  (-0.6228074E-03)
 number of electron      15.0000000 magnetization      -0.0000594
 augmentation part       -0.0007226 magnetization      -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.15855184
  -exchange      EXHF   =        33.29430933
  -V(xc)+E(xc)   XCENC  =       -83.53838283
  PAW double counting   =    100911.12400850  -100810.16664869
  entropy T*S    EENTRO =        -0.00503550
  eigenvalues    EBANDS =       -35.72862251
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90014840 eV

  energy without entropy =      -13.89511289  energy(sigma->0) =      -13.89846990
  exchange ACFDT corr.  =        -0.00522546  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7274
    SETDIJ:  cpu time      1.2377: real time      1.2435
    TRIAL :  cpu time    580.7837: real time    585.8928
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    583.0132: real time    588.1366

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4105011E-03  (-0.3155436E-03)
 number of electron      15.0000000 magnetization      -0.0000588
 augmentation part       -0.0007312 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.25411336
  -exchange      EXHF   =        33.29390002
  -V(xc)+E(xc)   XCENC  =       -83.53862752
  PAW double counting   =    100907.28262692  -100806.32536789
  entropy T*S    EENTRO =        -0.00506113
  eigenvalues    EBANDS =       -35.63267993
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90055890 eV

  energy without entropy =      -13.89549777  energy(sigma->0) =      -13.89887185
  exchange ACFDT corr.  =        -0.00525036  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7272
    SETDIJ:  cpu time      1.2357: real time      1.2414
    TRIAL :  cpu time    582.5528: real time    587.6751
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.7799: real time    589.9164

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1973206E-03  (-0.2161515E-03)
 number of electron      15.0000000 magnetization      -0.0000577
 augmentation part       -0.0007371 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.38545991
  -exchange      EXHF   =        33.29466636
  -V(xc)+E(xc)   XCENC  =       -83.53843663
  PAW double counting   =    100906.14050873  -100805.18340955
  entropy T*S    EENTRO =        -0.00507165
  eigenvalues    EBANDS =       -35.50230245
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90075622 eV

  energy without entropy =      -13.89568457  energy(sigma->0) =      -13.89906567
  exchange ACFDT corr.  =        -0.00527583  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2353: real time      1.2410
    TRIAL :  cpu time    583.2077: real time    588.3775
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    585.4352: real time    590.6191

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1501058E-03  (-0.9250087E-04)
 number of electron      15.0000000 magnetization      -0.0000562
 augmentation part       -0.0007398 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.38326167
  -exchange      EXHF   =        33.29550744
  -V(xc)+E(xc)   XCENC  =       -83.53818786
  PAW double counting   =    100907.27832331  -100806.32134851
  entropy T*S    EENTRO =        -0.00508037
  eigenvalues    EBANDS =       -35.50560574
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90090632 eV

  energy without entropy =      -13.89582595  energy(sigma->0) =      -13.89921287
  exchange ACFDT corr.  =        -0.00529347  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7281
    SETDIJ:  cpu time      1.2366: real time      1.2421
    TRIAL :  cpu time    583.3350: real time    588.4445
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    585.5637: real time    590.6876

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6180597E-04  (-0.5066814E-04)
 number of electron      15.0000000 magnetization      -0.0000546
 augmentation part       -0.0007396 magnetization      -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.37239129
  -exchange      EXHF   =        33.29622384
  -V(xc)+E(xc)   XCENC  =       -83.53795314
  PAW double counting   =    100910.46869362  -100809.51170481
  entropy T*S    EENTRO =        -0.00509429
  eigenvalues    EBANDS =       -35.51749434
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90096813 eV

  energy without entropy =      -13.89587384  energy(sigma->0) =      -13.89927003
  exchange ACFDT corr.  =        -0.00530956  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2386: real time      1.2443
    TRIAL :  cpu time    582.7484: real time    587.8307
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    584.9794: real time    590.0757

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3412091E-04  (-0.3429710E-04)
 number of electron      15.0000000 magnetization      -0.0000529
 augmentation part       -0.0007373 magnetization      -0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.42681105
  -exchange      EXHF   =        33.29679531
  -V(xc)+E(xc)   XCENC  =       -83.53775176
  PAW double counting   =    100916.15041254  -100815.19339906
  entropy T*S    EENTRO =        -0.00510931
  eigenvalues    EBANDS =       -35.46389231
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90100225 eV

  energy without entropy =      -13.89589294  energy(sigma->0) =      -13.89929915
  exchange ACFDT corr.  =        -0.00532734  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2311: real time      1.2366
    TRIAL :  cpu time    584.3973: real time    589.4756
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    586.6214: real time    591.7133

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2526064E-04  (-0.1933243E-04)
 number of electron      15.0000000 magnetization      -0.0000513
 augmentation part       -0.0007340 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.47854029
  -exchange      EXHF   =        33.29703752
  -V(xc)+E(xc)   XCENC  =       -83.53766315
  PAW double counting   =    100922.59545829  -100821.63849668
  entropy T*S    EENTRO =        -0.00512106
  eigenvalues    EBANDS =       -35.41245225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90102751 eV

  energy without entropy =      -13.89590645  energy(sigma->0) =      -13.89932049
  exchange ACFDT corr.  =        -0.00534322  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2375: real time      1.2429
    TRIAL :  cpu time    584.6244: real time    589.7112
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.8532: real time    591.9538

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1519691E-04  (-0.1237913E-04)
 number of electron      15.0000000 magnetization      -0.0000498
 augmentation part       -0.0007304 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.46958117
  -exchange      EXHF   =        33.29693754
  -V(xc)+E(xc)   XCENC  =       -83.53769737
  PAW double counting   =    100928.23107748  -100827.27410932
  entropy T*S    EENTRO =        -0.00513025
  eigenvalues    EBANDS =       -35.42128717
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90104271 eV

  energy without entropy =      -13.89591246  energy(sigma->0) =      -13.89933263
  exchange ACFDT corr.  =        -0.00535432  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      2(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2345: real time      1.2400
    TRIAL :  cpu time    582.8344: real time    587.9585
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    581.6677: real time    586.7464
    CHARGE:  cpu time      0.2649: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time   1166.7287: real time   1176.9456

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8615403E-05  (-0.5920633E-05)
 number of electron      15.0000000 magnetization      -0.0000484
 augmentation part       -0.0007274 magnetization      -0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.69735412
  -Hartree energ DENC   =      -704.43236900
  -exchange      EXHF   =        33.29667163
  -V(xc)+E(xc)   XCENC  =       -83.53777031
  PAW double counting   =    100933.16376738  -100832.20676803
  entropy T*S    EENTRO =        -0.00513919
  eigenvalues    EBANDS =       -35.45826171
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90105132 eV

  energy without entropy =      -13.89591214  energy(sigma->0) =      -13.89933826
  exchange ACFDT corr.  =        -0.00536254  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0454


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8977       2 -69.7820       3 -69.7836       4 -69.7804       5 -69.8940
 
 
 
 E-fermi :   3.1523     XC(G=0):  -5.1153     alpha+bet : -8.9779

 Fermi energy:         3.1522876152

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9026      1.00000
      2     -10.0254      1.00000
      3      -8.6424      1.00000
      4      -6.7467      1.00000
      5      -4.3209      1.00000
      6      -1.5857      1.00000
      7       1.6391      1.00000
      8       4.6589     -0.00000
      9       5.4204     -0.00000
     10       7.9351     -0.00000
     11       8.0039     -0.00000
     12      11.8982      0.00000
     13      12.1961      0.00000
     14      16.0758      0.00000
     15      16.3486      0.00000
     16      16.7546      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8164      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1049      1.00000
      6      -1.3755      1.00000
      7       1.8527      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0248      0.00000
     13      12.2936      0.00000
     14      13.1110      0.00000
     15      13.9577      0.00000
     16      14.4754      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8164      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1049      1.00000
      6      -1.3755      1.00000
      7       1.8527      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0248      0.00000
     13      12.2932      0.00000
     14      13.1106      0.00000
     15      13.8288      0.00000
     16      14.6259      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8164      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1049      1.00000
      6      -1.3755      1.00000
      7       1.8527      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0245      0.00000
     13      12.2938      0.00000
     14      13.1105      0.00000
     15      13.8463      0.00000
     16      14.4683      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1892      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7464      1.00000
      7       2.4786      1.00001
      8       5.3717     -0.00000
      9       6.1125     -0.00000
     10       8.4852     -0.00000
     11       8.6378      0.00000
     12       9.7235      0.00000
     13      10.2404      0.00000
     14      11.3545      0.00000
     15      12.5175      0.00000
     16      12.7872      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1892      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7464      1.00000
      7       2.4786      1.00001
      8       5.3717     -0.00000
      9       6.1125     -0.00000
     10       8.4852     -0.00000
     11       8.6378      0.00000
     12       9.7235      0.00000
     13      10.2402      0.00000
     14      11.3544      0.00000
     15      12.5221      0.00000
     16      12.8397      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1892      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7464      1.00000
      7       2.4786      1.00001
      8       5.3717     -0.00000
      9       6.1125     -0.00000
     10       8.4852     -0.00000
     11       8.6378      0.00000
     12       9.7236      0.00000
     13      10.2423      0.00000
     14      11.3557      0.00000
     15      12.5203      0.00000
     16      12.9383      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8403      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4333     -0.03184
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4134      0.00000
     14       9.5953      0.00000
     15       9.8136      0.00000
     16      11.6016      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8403      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4333     -0.03184
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4131      0.00000
     14       9.5944      0.00000
     15       9.8137      0.00000
     16      11.6977      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8403      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4333     -0.03184
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4132      0.00000
     14       9.5944      0.00000
     15       9.8138      0.00000
     16      12.0064      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2205     -0.00000
     14       8.7220      0.00000
     15      10.5318      0.00000
     16      10.8490      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2208     -0.00000
     14       8.7226      0.00000
     15      10.5363      0.00000
     16      10.8480      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2205     -0.00000
     14       8.7222      0.00000
     15      10.5296      0.00000
     16      10.8481      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1101      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7237     -0.00000
     13       8.2393     -0.00000
     14       9.2272      0.00000
     15       9.7623      0.00000
     16      10.6877      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1101      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7237     -0.00000
     13       8.2400     -0.00000
     14       9.2187      0.00000
     15       9.7616      0.00000
     16      10.4343      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1101      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7237     -0.00000
     13       8.2394     -0.00000
     14       9.2229      0.00000
     15       9.7609      0.00000
     16      10.5506      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3950      1.00000
      9       3.3993     -0.03545
     10       3.5356     -0.01045
     11       5.6802     -0.00000
     12       6.0207     -0.00000
     13       8.4222     -0.00000
     14       8.8758      0.00000
     15      10.4438      0.00000
     16      10.5392      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3950      1.00000
      9       3.3993     -0.03545
     10       3.5356     -0.01045
     11       5.6802     -0.00000
     12       6.0207     -0.00000
     13       8.4224     -0.00000
     14       8.8754      0.00000
     15      10.4458      0.00000
     16      11.1417      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3950      1.00000
      9       3.3993     -0.03545
     10       3.5356     -0.01045
     11       5.6802     -0.00000
     12       6.0207     -0.00000
     13       8.4223     -0.00000
     14       8.8741      0.00000
     15      10.4956      0.00000
     16      10.5506      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1112      1.00000
      5      -3.6735      1.00000
      6      -0.9558      1.00000
      7       2.2729      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4762     -0.00000
     12      11.4269      0.00000
     13      11.4630      0.00000
     14      11.8852      0.00000
     15      11.9994      0.00000
     16      12.7004      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1112      1.00000
      5      -3.6735      1.00000
      6      -0.9558      1.00000
      7       2.2729      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4762     -0.00000
     12      11.4259      0.00000
     13      11.5243      0.00000
     14      11.8910      0.00000
     15      11.9810      0.00000
     16      12.7619      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1112      1.00000
      5      -3.6735      1.00000
      6      -0.9558      1.00000
      7       2.2729      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4762     -0.00000
     12      11.4266      0.00000
     13      11.4459      0.00000
     14      11.9002      0.00000
     15      12.0075      0.00000
     16      12.6761      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79957
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4292      0.00000
     14       9.8147      0.00000
     15      10.1778      0.00000
     16      10.6949      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79957
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4296      0.00000
     14       9.8125      0.00000
     15      10.1777      0.00000
     16      10.7089      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79958
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4290      0.00000
     14       9.8132      0.00000
     15      10.1870      0.00000
     16      10.7263      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79957
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4299      0.00000
     14       9.8146      0.00000
     15      10.1777      0.00000
     16      10.7036      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79957
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4305      0.00000
     14       9.8153      0.00000
     15      10.1815      0.00000
     16      10.6949      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0771      0.79957
      8       5.8471     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4291      0.00000
     14       9.8166      0.00000
     15      10.1797      0.00000
     16      10.6927      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7051     -0.00000
     13       8.1878     -0.00000
     14       8.9145      0.00000
     15       9.7045      0.00000
     16      10.2490      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7054     -0.00000
     13       8.1878     -0.00000
     14       8.9733      0.00000
     15       9.9118      0.00000
     16      10.1848      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7051     -0.00000
     13       8.1878     -0.00000
     14       8.9505      0.00000
     15       9.7599      0.00000
     16      10.2986      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7052     -0.00000
     13       8.1878     -0.00000
     14       9.0180      0.00000
     15       9.6627      0.00000
     16      10.2965      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7052     -0.00000
     13       8.1878     -0.00000
     14       8.9445      0.00000
     15       9.6964      0.00000
     16      10.2206      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9941      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6759     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7053     -0.00000
     13       8.1878     -0.00000
     14       8.9354      0.00000
     15      10.0583      0.00000
     16      10.2783      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00345
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9784     -0.00000
     14       8.7071      0.00000
     15       9.1030      0.00000
     16       9.1611      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00348
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9864     -0.00000
     14       8.6906      0.00000
     15       9.1099      0.00000
     16       9.1785      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00344
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9826     -0.00000
     14       8.6694      0.00000
     15       9.0995      0.00000
     16       9.1157      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9474      1.00000
      8       2.9810      1.00345
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9770     -0.00000
     14       8.6750      0.00000
     15       9.1121      0.00000
     16       9.1333      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00345
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9778     -0.00000
     14       8.7015      0.00000
     15       9.1092      0.00000
     16       9.3214      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00348
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9808     -0.00000
     14       8.6772      0.00000
     15       9.1166      0.00000
     16       9.1231      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4174      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6298      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4904     -0.00000
     14       8.0151     -0.00000
     15       8.8232      0.00000
     16       9.7596      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4174      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4911     -0.00000
     14       8.0154     -0.00000
     15       8.8317      0.00000
     16       9.8423      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6298      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4907     -0.00000
     14       8.0144     -0.00000
     15       8.8964      0.00000
     16       9.8981      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4174      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6298      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4906     -0.00000
     14       8.0148     -0.00000
     15       8.8181      0.00000
     16       9.7544      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4174      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4931     -0.00000
     14       8.0206     -0.00000
     15       8.8262      0.00000
     16       9.7376      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4174      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0151     -0.00000
     15       8.8677      0.00000
     16      10.4475      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1186      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9046      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2023     -0.00000
     11       7.3311     -0.00000
     12       7.4507     -0.00000
     13       7.6076     -0.00000
     14       8.3713     -0.00000
     15       8.9900      0.00000
     16      10.1096      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1186      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9046      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2023     -0.00000
     11       7.3310     -0.00000
     12       7.4508     -0.00000
     13       7.6075     -0.00000
     14       8.3713     -0.00000
     15       8.7386      0.00000
     16      10.0821      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1186      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9046      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2023     -0.00000
     11       7.3310     -0.00000
     12       7.4508     -0.00000
     13       7.6068     -0.00000
     14       8.3542     -0.00000
     15       8.7293      0.00000
     16      10.0624      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60961
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0129     -0.00000
     14       7.7573     -0.00000
     15       8.4425     -0.00000
     16       8.7657      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60961
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0129     -0.00000
     14       7.7595     -0.00000
     15       8.4504     -0.00000
     16       8.7738      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60963
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0132     -0.00000
     14       7.7598     -0.00000
     15       8.4482     -0.00000
     16       8.7688      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60959
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0130     -0.00000
     14       7.7603     -0.00000
     15       8.4581     -0.00000
     16       8.7681      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60964
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0135     -0.00000
     14       7.7609     -0.00000
     15       8.4419     -0.00000
     16       8.7748      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6439      1.00000
      4      -2.7302      1.00000
      5      -0.3020      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60960
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0130     -0.00000
     14       7.7583     -0.00000
     15       8.4537     -0.00000
     16       8.7647      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5728      1.00016
      9       4.0691     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6213     -0.00000
     14       7.3892     -0.00000
     15       7.5383     -0.00000
     16       8.8676      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8938      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6216     -0.00000
     14       7.3864     -0.00000
     15       7.5404     -0.00000
     16       8.8716      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5728      1.00016
      9       4.0691     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6213     -0.00000
     14       7.3876     -0.00000
     15       7.5391     -0.00000
     16       8.8690      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5728      1.00016
      9       4.0691     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6212     -0.00000
     14       7.3871     -0.00000
     15       7.5385     -0.00000
     16       8.8911      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8938      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5728      1.00016
      9       4.0691     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6213     -0.00000
     14       7.3876     -0.00000
     15       7.5419     -0.00000
     16       8.8907      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8938      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6213     -0.00000
     14       7.3866     -0.00000
     15       7.5431     -0.00000
     16       9.1610      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7307      1.00000
      3      -1.8584      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2507      1.00000
      8       1.9852      1.00000
      9       3.7779     -0.00005
     10       3.9120     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3971     -0.00000
     14       6.7510     -0.00000
     15       7.1079     -0.00000
     16       8.9835      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7307      1.00000
      3      -1.8584      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2506      1.00000
      8       1.9851      1.00000
      9       3.7779     -0.00005
     10       3.9120     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3969     -0.00000
     14       6.7510     -0.00000
     15       7.1079     -0.00000
     16       8.9406      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7307      1.00000
      3      -1.8584      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2506      1.00000
      8       1.9852      1.00000
      9       3.7779     -0.00005
     10       3.9120     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3969     -0.00000
     14       6.7510     -0.00000
     15       7.1080     -0.00000
     16       8.8710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9629      1.00000
      4      -1.0741      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02295
      9       3.4054     -0.03522
     10       4.2057     -0.00000
     11       4.4798     -0.00000
     12       4.8373     -0.00000
     13       6.2203     -0.00000
     14       6.8625     -0.00000
     15       7.2720     -0.00000
     16       8.7322      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9629      1.00000
      4      -1.0741      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02295
      9       3.4054     -0.03523
     10       4.2057     -0.00000
     11       4.4798     -0.00000
     12       4.8374     -0.00000
     13       6.2204     -0.00000
     14       6.8626     -0.00000
     15       7.2722     -0.00000
     16       8.8846      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9629      1.00000
      4      -1.0741      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02295
      9       3.4054     -0.03522
     10       4.2057     -0.00000
     11       4.4798     -0.00000
     12       4.8374     -0.00000
     13       6.2204     -0.00000
     14       6.8628     -0.00000
     15       7.2736     -0.00000
     16       8.7237      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9033      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5214      1.00004
     10       3.1775      0.39429
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0522     -0.00000
     14       6.1626     -0.00000
     15       6.3824     -0.00000
     16       8.2468     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9033      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39469
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0522     -0.00000
     14       6.1627     -0.00000
     15       6.3825     -0.00000
     16       8.3659     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9033      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5214      1.00004
     10       3.1775      0.39427
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0522     -0.00000
     14       6.1626     -0.00000
     15       6.3825     -0.00000
     16       8.4063     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5214      1.00004
     10       3.1775      0.39425
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0522     -0.00000
     14       6.1627     -0.00000
     15       6.3824     -0.00000
     16       8.3236     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9033      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5213      1.00004
     10       3.1775      0.39450
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0522     -0.00000
     14       6.1626     -0.00000
     15       6.3824     -0.00000
     16       8.2737     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9033      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8193      1.00000
      9       2.5213      1.00004
     10       3.1775      0.39453
     11       4.1405     -0.00000
     12       4.6508     -0.00000
     13       6.0524     -0.00000
     14       6.1628     -0.00000
     15       6.3824     -0.00000
     16       8.4493     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8834      1.00000
      2      -0.8805      1.00000
      3      -0.8462      1.00000
      4      -0.0516      1.00000
      5       0.0100      1.00000
      6       0.0134      1.00000
      7       1.0626      1.00000
      8       1.0641      1.00000
      9       1.7774      1.00000
     10       2.6903      1.00261
     11       4.1090     -0.00000
     12       4.1103     -0.00000
     13       6.0005     -0.00000
     14       6.0038     -0.00000
     15       6.0659     -0.00000
     16       8.0301     -0.00000
 Fermi energy:         3.1522876152

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9026      1.00000
      2     -10.0255      1.00000
      3      -8.6424      1.00000
      4      -6.7467      1.00000
      5      -4.3210      1.00000
      6      -1.5857      1.00000
      7       1.6390      1.00000
      8       4.6589     -0.00000
      9       5.4204     -0.00000
     10       7.9351     -0.00000
     11       8.0039     -0.00000
     12      11.8980      0.00000
     13      12.1960      0.00000
     14      16.0939      0.00000
     15      16.4513      0.00000
     16      16.9054      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8165      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1050      1.00000
      6      -1.3756      1.00000
      7       1.8526      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0245      0.00000
     13      12.2931      0.00000
     14      13.1108      0.00000
     15      13.8271      0.00000
     16      14.3887      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8165      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1050      1.00000
      6      -1.3756      1.00000
      7       1.8526      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0246      0.00000
     13      12.2929      0.00000
     14      13.1105      0.00000
     15      13.8251      0.00000
     16      14.3350      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6941      1.00000
      2      -9.8165      1.00000
      3      -8.4324      1.00000
      4      -6.5349      1.00000
      5      -4.1050      1.00000
      6      -1.3756      1.00000
      7       1.8526      1.00000
      8       4.8415     -0.00000
      9       5.5947     -0.00000
     10       8.1029     -0.00000
     11       8.1687     -0.00000
     12      12.0244      0.00000
     13      12.2930      0.00000
     14      13.1111      0.00000
     15      13.8721      0.00000
     16      14.4184      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1893      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7465      1.00000
      7       2.4785      1.00001
      8       5.3716     -0.00000
      9       6.1125     -0.00000
     10       8.4851     -0.00000
     11       8.6378      0.00000
     12       9.7235      0.00000
     13      10.2406      0.00000
     14      11.3550      0.00000
     15      12.5330      0.00000
     16      12.9651      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1893      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7465      1.00000
      7       2.4785      1.00001
      8       5.3716     -0.00000
      9       6.1125     -0.00000
     10       8.4851     -0.00000
     11       8.6378      0.00000
     12       9.7235      0.00000
     13      10.2410      0.00000
     14      11.3546      0.00000
     15      12.5153      0.00000
     16      12.7846      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1893      1.00000
      3      -7.8020      1.00000
      4      -5.8994      1.00000
      5      -3.4582      1.00000
      6      -0.7465      1.00000
      7       2.4785      1.00001
      8       5.3716     -0.00000
      9       6.1125     -0.00000
     10       8.4851     -0.00000
     11       8.6378      0.00000
     12       9.7235      0.00000
     13      10.2403      0.00000
     14      11.3543      0.00000
     15      12.5234      0.00000
     16      12.8699      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8404      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4332     -0.03185
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4131      0.00000
     14       9.5942      0.00000
     15       9.8135      0.00000
     16      11.6093      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8404      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4332     -0.03185
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4136      0.00000
     14       9.5946      0.00000
     15       9.8132      0.00000
     16      11.6564      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0256      1.00000
      2      -8.1429      1.00000
      3      -6.7502      1.00000
      4      -4.8404      1.00000
      5      -2.3866      1.00000
      6       0.2907      1.00000
      7       3.4332     -0.03185
      8       5.6431     -0.00000
      9       6.5533     -0.00000
     10       6.8398     -0.00000
     11       7.0583     -0.00000
     12       8.0424     -0.00000
     13       9.4133      0.00000
     14       9.5945      0.00000
     15       9.8131      0.00000
     16      11.6232      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2206     -0.00000
     14       8.7232      0.00000
     15      10.5262      0.00000
     16      10.8492      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2205     -0.00000
     14       8.7222      0.00000
     15      10.5347      0.00000
     16      10.8528      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5629      1.00000
      2      -6.6751      1.00000
      3      -5.2756      1.00000
      4      -3.3617      1.00000
      5      -0.9218      1.00000
      6       1.5755      1.00000
      7       2.5376      1.00006
      8       3.4909     -0.01891
      9       4.7782     -0.00000
     10       5.1465     -0.00000
     11       6.5360     -0.00000
     12       7.6780     -0.00000
     13       8.2205     -0.00000
     14       8.7220      0.00000
     15      10.5393      0.00000
     16      10.8575      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1100      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7236     -0.00000
     13       8.2393     -0.00000
     14       9.2197      0.00000
     15       9.7614      0.00000
     16      10.5672      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1101      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7236     -0.00000
     13       8.2397     -0.00000
     14       9.2219      0.00000
     15       9.7609      0.00000
     16      10.6107      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6768      1.00000
      2      -4.7833      1.00000
      3      -3.3831      1.00000
      4      -1.5113      1.00000
      5      -0.6780      1.00000
      6       0.0855      1.00000
      7       1.1101      1.00000
      8       2.0018      1.00000
      9       3.6576     -0.00103
     10       3.7495     -0.00010
     11       5.9462     -0.00000
     12       6.7236     -0.00000
     13       8.2394     -0.00000
     14       9.2193      0.00000
     15       9.7623      0.00000
     16      10.6131      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3949      1.00000
      9       3.3993     -0.03545
     10       3.5355     -0.01045
     11       5.6802     -0.00000
     12       6.0207     -0.00000
     13       8.4223     -0.00000
     14       8.8795      0.00000
     15      10.6445      0.00000
     16      11.2993      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3950      1.00000
      9       3.3993     -0.03545
     10       3.5355     -0.01045
     11       5.6802     -0.00000
     12       6.0207     -0.00000
     13       8.4224     -0.00000
     14       8.8758      0.00000
     15      10.4839      0.00000
     16      11.1382      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3790      1.00000
      2      -3.3563      1.00000
      3      -2.4918      1.00000
      4      -2.4686      1.00000
      5      -1.3240      1.00000
      6      -0.9231      1.00000
      7       0.6506      1.00000
      8       1.3949      1.00000
      9       3.3993     -0.03545
     10       3.5355     -0.01044
     11       5.6801     -0.00000
     12       6.0207     -0.00000
     13       8.4226     -0.00000
     14       8.8772      0.00000
     15      10.5747      0.00000
     16      11.5330      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1113      1.00000
      5      -3.6736      1.00000
      6      -0.9559      1.00000
      7       2.2728      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4761     -0.00000
     12      11.4261      0.00000
     13      11.4515      0.00000
     14      11.8797      0.00000
     15      12.0159      0.00000
     16      12.6991      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1113      1.00000
      5      -3.6736      1.00000
      6      -0.9559      1.00000
      7       2.2728      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4761     -0.00000
     12      11.4265      0.00000
     13      11.4504      0.00000
     14      11.8875      0.00000
     15      12.0241      0.00000
     16      12.6686      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3984      1.00000
      3      -8.0122      1.00000
      4      -6.1113      1.00000
      5      -3.6736      1.00000
      6      -0.9559      1.00000
      7       2.2728      1.00000
      8       5.1997     -0.00000
      9       5.9413     -0.00000
     10       8.4269     -0.00000
     11       8.4761     -0.00000
     12      11.4271      0.00000
     13      11.4390      0.00000
     14      11.8661      0.00000
     15      12.0971      0.00000
     16      12.7767      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4288      0.00000
     14       9.8147      0.00000
     15      10.1758      0.00000
     16      10.6903      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4292      0.00000
     14       9.8166      0.00000
     15      10.2324      0.00000
     16      10.7127      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4296      0.00000
     14       9.8180      0.00000
     15      10.1770      0.00000
     16      10.6939      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0094      0.00000
     13       9.4300      0.00000
     14       9.8156      0.00000
     15      10.1766      0.00000
     16      10.6956      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4295      0.00000
     14       9.8130      0.00000
     15      10.1767      0.00000
     16      10.6927      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4430      1.00000
      2      -8.5617      1.00000
      3      -7.1711      1.00000
      4      -5.2639      1.00000
      5      -2.8139      1.00000
      6      -0.1210      1.00000
      7       3.0770      0.79986
      8       5.8470     -0.00000
      9       6.6095     -0.00000
     10       7.8521     -0.00000
     11       8.5539     -0.00000
     12       9.0093      0.00000
     13       9.4288      0.00000
     14       9.8130      0.00000
     15      10.1764      0.00000
     16      10.6889      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7059     -0.00000
     13       8.1878     -0.00000
     14       8.9887      0.00000
     15       9.6196      0.00000
     16      10.2014      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7053     -0.00000
     13       8.1878     -0.00000
     14       8.9975      0.00000
     15       9.6851      0.00000
     16      10.2649      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7052     -0.00000
     13       8.1878     -0.00000
     14       9.0122      0.00000
     15       9.5791      0.00000
     16      10.2578      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1091     -0.00000
     12       7.7052     -0.00000
     13       8.1878     -0.00000
     14       9.0073      0.00000
     15       9.6638      0.00000
     16      10.2656      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1090     -0.00000
     12       7.7052     -0.00000
     13       8.1878     -0.00000
     14       8.9056      0.00000
     15       9.6698      0.00000
     16      10.3040      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.3048      1.00000
      3      -5.9079      1.00000
      4      -3.9942      1.00000
      5      -1.5396      1.00000
      6       1.0958      1.00000
      7       3.8138     -0.00002
      8       4.6758     -0.00000
      9       5.3746     -0.00000
     10       6.4902     -0.00000
     11       7.1090     -0.00000
     12       7.7065     -0.00000
     13       8.1880     -0.00000
     14       8.8916      0.00000
     15       9.5796      0.00000
     16      10.2203      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9809      1.00350
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9809     -0.00000
     14       8.6942      0.00000
     15       9.1114      0.00000
     16       9.3177      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00347
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9808     -0.00000
     14       8.6996      0.00000
     15       9.1041      0.00000
     16       9.1352      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9809      1.00350
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9894     -0.00000
     14       8.6828      0.00000
     15       9.1111      0.00000
     16       9.2193      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9809      1.00349
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9792     -0.00000
     14       8.6701      0.00000
     15       9.1103      0.00000
     16       9.1435      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9809      1.00350
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9841     -0.00000
     14       8.6707      0.00000
     15       9.0978      0.00000
     16       9.1205      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5163      1.00000
      2      -5.6249      1.00000
      3      -4.2226      1.00000
      4      -2.3158      1.00000
      5       0.0257      1.00000
      6       0.9872      1.00000
      7       1.9473      1.00000
      8       2.9810      1.00347
      9       3.5031     -0.01640
     10       5.2052     -0.00000
     11       5.9194     -0.00000
     12       7.3342     -0.00000
     13       7.9765     -0.00000
     14       8.6809      0.00000
     15       9.1038      0.00000
     16       9.1242      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3003      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4906     -0.00000
     14       8.0185     -0.00000
     15       8.8650      0.00000
     16       9.7294      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4909     -0.00000
     14       8.0151     -0.00000
     15       8.8169      0.00000
     16       9.8137      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4910     -0.00000
     14       8.0144     -0.00000
     15       8.8148      0.00000
     16       9.8607      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3003      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4902     -0.00000
     14       8.0144     -0.00000
     15       8.8146      0.00000
     16       9.7309      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4924     -0.00000
     14       8.0193     -0.00000
     15       8.9703      0.00000
     16       9.7973      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.5239      1.00000
      3      -2.1405      1.00000
      4      -1.9062      1.00000
      5      -1.0772      1.00000
      6      -0.3621      1.00000
      7       0.6297      1.00000
      8       2.3004      1.00000
      9       2.6771      1.00196
     10       4.7364     -0.00000
     11       4.9176     -0.00000
     12       7.0269     -0.00000
     13       7.4909     -0.00000
     14       8.0185     -0.00000
     15       8.8164      0.00000
     16       9.8288      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1187      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9045      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2022     -0.00000
     11       7.3311     -0.00000
     12       7.4507     -0.00000
     13       7.6064     -0.00000
     14       8.3867     -0.00000
     15       8.7233      0.00000
     16      10.0872      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1187      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9045      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2022     -0.00000
     11       7.3311     -0.00000
     12       7.4508     -0.00000
     13       7.6065     -0.00000
     14       8.3865     -0.00000
     15       8.7476      0.00000
     16      10.1002      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.5146      1.00000
      3      -6.1187      1.00000
      4      -4.2054      1.00000
      5      -1.7491      1.00000
      6       0.9045      1.00000
      7       3.9715     -0.00000
      8       6.0152     -0.00000
      9       6.4830     -0.00000
     10       7.2023     -0.00000
     11       7.3311     -0.00000
     12       7.4507     -0.00000
     13       7.6078     -0.00000
     14       8.3641     -0.00000
     15       8.8115      0.00000
     16      10.0950      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60963
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0131     -0.00000
     14       7.7580     -0.00000
     15       8.4460     -0.00000
     16       8.7653      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60969
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0129     -0.00000
     14       7.7580     -0.00000
     15       8.4568     -0.00000
     16       8.7676      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60964
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0142     -0.00000
     14       7.8726     -0.00000
     15       8.5305      0.00000
     16       8.7043      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60965
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0135     -0.00000
     14       7.7600     -0.00000
     15       8.4400     -0.00000
     16       8.7693      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60960
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0129     -0.00000
     14       7.7588     -0.00000
     15       8.4501     -0.00000
     16       8.7651      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9359      1.00000
      2      -6.0459      1.00000
      3      -4.6440      1.00000
      4      -2.7302      1.00000
      5      -0.3021      1.00000
      6       2.1599      1.00000
      7       3.1260      0.60970
      8       4.0659     -0.00000
      9       5.0841     -0.00000
     10       5.3340     -0.00000
     11       5.8967     -0.00000
     12       6.4619     -0.00000
     13       7.0128     -0.00000
     14       7.7576     -0.00000
     15       8.4416     -0.00000
     16       8.7732      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6216     -0.00000
     14       7.3873     -0.00000
     15       7.5434     -0.00000
     16       8.8833      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6222     -0.00000
     14       7.3872     -0.00000
     15       7.5459     -0.00000
     16       9.0854      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6214     -0.00000
     14       7.3864     -0.00000
     15       7.5388     -0.00000
     16       8.8902      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6214     -0.00000
     14       7.3870     -0.00000
     15       7.5414     -0.00000
     16       8.9895      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6212     -0.00000
     14       7.3873     -0.00000
     15       7.5421     -0.00000
     16       8.9276      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0489      1.00000
      2      -4.1546      1.00000
      3      -2.7551      1.00000
      4      -0.8939      1.00000
      5      -0.0613      1.00000
      6       0.6874      1.00000
      7       1.7003      1.00000
      8       2.5727      1.00016
      9       4.0690     -0.00000
     10       4.2792     -0.00000
     11       4.8596     -0.00000
     12       5.7024     -0.00000
     13       6.6214     -0.00000
     14       7.3885     -0.00000
     15       7.5439     -0.00000
     16       8.8846      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7308      1.00000
      3      -1.8585      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2506      1.00000
      8       1.9851      1.00000
      9       3.7778     -0.00005
     10       3.9119     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3968     -0.00000
     14       6.7511     -0.00000
     15       7.1079     -0.00000
     16       8.7966      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7308      1.00000
      3      -1.8585      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2506      1.00000
      8       1.9851      1.00000
      9       3.7779     -0.00005
     10       3.9119     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3969     -0.00000
     14       6.7511     -0.00000
     15       7.1078     -0.00000
     16       8.7522      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7530      1.00000
      2      -2.7307      1.00000
      3      -1.8584      1.00000
      4      -1.8567      1.00000
      5      -0.7104      1.00000
      6      -0.3100      1.00000
      7       1.2506      1.00000
      8       1.9851      1.00000
      9       3.7779     -0.00005
     10       3.9120     -0.00000
     11       4.7062     -0.00000
     12       5.7338     -0.00000
     13       6.3968     -0.00000
     14       6.7510     -0.00000
     15       7.1080     -0.00000
     16       8.8258      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9630      1.00000
      4      -1.0742      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02296
      9       3.4054     -0.03522
     10       4.2057     -0.00000
     11       4.4797     -0.00000
     12       4.8373     -0.00000
     13       6.2206     -0.00000
     14       6.8625     -0.00000
     15       7.2723     -0.00000
     16       8.7291      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9630      1.00000
      4      -1.0742      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02295
      9       3.4054     -0.03522
     10       4.2057     -0.00000
     11       4.4797     -0.00000
     12       4.8373     -0.00000
     13       6.2208     -0.00000
     14       6.8635     -0.00000
     15       7.2730     -0.00000
     16       8.7061      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2595      1.00000
      2      -4.3654      1.00000
      3      -2.9630      1.00000
      4      -1.0742      1.00000
      5       1.1573      1.00000
      6       2.0878      1.00000
      7       2.2461      1.00000
      8       2.9563      1.02296
      9       3.4054     -0.03522
     10       4.2057     -0.00000
     11       4.4797     -0.00000
     12       4.8373     -0.00000
     13       6.2203     -0.00000
     14       6.8626     -0.00000
     15       7.2723     -0.00000
     16       8.7211      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39480
     11       4.1405     -0.00000
     12       4.6507     -0.00000
     13       6.0523     -0.00000
     14       6.1626     -0.00000
     15       6.3825     -0.00000
     16       8.2720     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1462      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1775      0.39443
     11       4.1404     -0.00000
     12       4.6507     -0.00000
     13       6.0523     -0.00000
     14       6.1627     -0.00000
     15       6.3824     -0.00000
     16       8.3277     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1462      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39475
     11       4.1404     -0.00000
     12       4.6507     -0.00000
     13       6.0522     -0.00000
     14       6.1626     -0.00000
     15       6.3824     -0.00000
     16       8.3221     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39478
     11       4.1405     -0.00000
     12       4.6507     -0.00000
     13       6.0521     -0.00000
     14       6.1626     -0.00000
     15       6.3825     -0.00000
     16       8.4998     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1463      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39459
     11       4.1404     -0.00000
     12       4.6507     -0.00000
     13       6.0522     -0.00000
     14       6.1627     -0.00000
     15       6.3826     -0.00000
     16       8.3015     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1614      1.00000
      2      -2.2718      1.00000
      3      -0.9034      1.00000
      4      -0.6613      1.00000
      5       0.1462      1.00000
      6       0.8166      1.00000
      7       1.7437      1.00000
      8       1.8192      1.00000
      9       2.5213      1.00004
     10       3.1774      0.39458
     11       4.1404     -0.00000
     12       4.6507     -0.00000
     13       6.0522     -0.00000
     14       6.1627     -0.00000
     15       6.3825     -0.00000
     16       8.3691     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8834      1.00000
      2      -0.8806      1.00000
      3      -0.8462      1.00000
      4      -0.0516      1.00000
      5       0.0100      1.00000
      6       0.0133      1.00000
      7       1.0626      1.00000
      8       1.0640      1.00000
      9       1.7774      1.00000
     10       2.6903      1.00260
     11       4.1090     -0.00000
     12       4.1103     -0.00000
     13       6.0001     -0.00000
     14       6.0036     -0.00000
     15       6.0658     -0.00000
     16       8.0289     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003  -0.000   1.881   0.000   0.000   5.469   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.760   0.000   0.000
 -0.006  -0.010   0.000   5.469   0.000   0.000  15.767   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.760
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.881   0.000  -0.000   5.469   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.760  -0.000   0.000
 -0.006  -0.010  -0.000   5.469   0.000  -0.000  15.767   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.760
 total augmentation occupancy for first ion, spin component:           1
115.828 -61.865   0.000  -0.094  -0.000  -0.000  -0.021   0.000
-61.865  33.043  -0.000   0.041   0.000   0.000   0.012  -0.000
  0.000  -0.000   2.072  -0.000  -0.000  -0.322   0.000   0.000
 -0.094   0.041  -0.000   1.734  -0.000   0.000  -0.266   0.000
 -0.000   0.000  -0.000  -0.000   2.072   0.000   0.000  -0.322
 -0.000   0.000  -0.322   0.000   0.000   0.050  -0.000  -0.000
 -0.021   0.012   0.000  -0.266   0.000  -0.000   0.041  -0.000
  0.000  -0.000   0.000   0.000  -0.322  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.002   0.001  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.001  -0.001   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.3192: real time    425.4279
    FORNL :  cpu time      0.4962: real time      0.5032
    FORCOR:  cpu time      1.9529: real time      1.9646
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.263E-04 -.568E-05 0.183E+03   0.411E-13 0.322E-13 -.182E+03   -.339E-04 0.740E-05 -.121E+01
   0.886E-05 0.926E-05 0.916E+02   0.197E-14 -.369E-14 -.916E+02   -.993E-05 -.103E-04 0.130E+00
   -.845E-05 0.173E-06 -.825E-01   -.143E-12 -.831E-13 0.804E-01   0.764E-05 -.228E-05 0.572E-03
   0.174E-04 -.139E-04 -.918E+02   0.133E-12 0.849E-13 0.918E+02   -.139E-04 0.154E-04 -.962E-01
   -.856E-05 -.130E-04 -.182E+03   -.425E-13 -.272E-13 0.181E+03   0.123E-04 0.161E-04 0.118E+01
 -----------------------------------------------------------------------------------------------
   0.388E-04 -.238E-04 -.269E-02   -.971E-14 0.313E-14 0.000E+00   -.377E-04 0.263E-04 -.724E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000007      0.000001     -0.115213
      0.00000      0.00000      2.34018        -0.000001     -0.000001      0.106940
      1.42873      0.82488      4.66620        -0.000000     -0.000002     -0.000775
      2.85746      1.64976      6.99227         0.000004      0.000001     -0.089116
      0.00000      0.00000      9.33910         0.000003      0.000002      0.098165
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000003     -0.003619


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90105132 eV

  energy  without entropy=      -13.89591214  energy(sigma->0) =      -13.89933826
 
 d Force = 0.2516874E-02[ 0.204E-02, 0.299E-02]  d Energy = 0.2583951E-02-0.671E-04
 d Force =-0.7991022E-01[-0.836E-01,-0.763E-01]  d Ewald  =-0.7990921E-01-0.101E-05


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9540: real time      1.9660


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.140E-02   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.0584
 eigenvalue spectrum of G is  3.0584


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0796
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9557: real time      1.9675
    EDDIAG:  cpu time    585.5157: real time    590.5761
    CHARGE:  cpu time      0.2650: real time      0.2671
 writing wavefunctions
     LOOP+:  cpu time   8042.8213: real time   8112.7528


--------------------------------------- Iteration      3(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2323: real time      1.2376
    TRIAL :  cpu time    581.8800: real time    586.9923
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    584.1113: real time    589.2425

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1243549E-01  (-0.1019154E-01)
 number of electron      15.0000000 magnetization      -0.0000433
 augmentation part       -0.0009885 magnetization      -0.0000012

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -706.56519448
  -exchange      EXHF   =        33.29263826
  -V(xc)+E(xc)   XCENC  =       -83.53908228
  PAW double counting   =    100740.47998099  -100639.52224347
  entropy T*S    EENTRO =        -0.00668097
  eigenvalues    EBANDS =       -33.34667998
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.88860722 eV

  energy without entropy =      -13.88192625  energy(sigma->0) =      -13.88638023
  exchange ACFDT corr.  =        -0.00628627  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7280
    SETDIJ:  cpu time      1.2336: real time      1.2391
    TRIAL :  cpu time    582.7430: real time    587.8529
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.9681: real time    590.0922

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6700548E-02  (-0.6342766E-02)
 number of electron      15.0000000 magnetization      -0.0000466
 augmentation part       -0.0009674 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.77769568
  -exchange      EXHF   =        33.28404938
  -V(xc)+E(xc)   XCENC  =       -83.54231542
  PAW double counting   =    100705.59091004  -100604.63286487
  entropy T*S    EENTRO =        -0.00674730
  eigenvalues    EBANDS =       -35.12933252
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89530777 eV

  energy without entropy =      -13.88856046  energy(sigma->0) =      -13.89305867
  exchange ACFDT corr.  =        -0.00724354  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2353: real time      1.2407
    TRIAL :  cpu time    584.7670: real time    589.8496
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.9940: real time    592.0902

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4145674E-02  (-0.2940790E-02)
 number of electron      15.0000000 magnetization      -0.0000499
 augmentation part       -0.0009612 magnetization       0.0000015

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -703.93440591
  -exchange      EXHF   =        33.27807309
  -V(xc)+E(xc)   XCENC  =       -83.54464121
  PAW double counting   =    100685.39277475  -100584.43461218
  entropy T*S    EENTRO =        -0.00682318
  eigenvalues    EBANDS =       -35.96851696
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89945344 eV

  energy without entropy =      -13.89263026  energy(sigma->0) =      -13.89717905
  exchange ACFDT corr.  =        -0.00624997  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2352: real time      1.2407
    TRIAL :  cpu time    582.4951: real time    587.7238
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    584.7227: real time    589.9652

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1903334E-02  (-0.1365080E-02)
 number of electron      15.0000000 magnetization      -0.0000516
 augmentation part       -0.0009609 magnetization       0.0000019

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.26891855
  -exchange      EXHF   =        33.27760914
  -V(xc)+E(xc)   XCENC  =       -83.54500210
  PAW double counting   =    100685.90739877  -100584.94937457
  entropy T*S    EENTRO =        -0.00685039
  eigenvalues    EBANDS =       -35.63486858
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90135678 eV

  energy without entropy =      -13.89450638  energy(sigma->0) =      -13.89907331
  exchange ACFDT corr.  =        -0.00693547  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2346: real time      1.2400
    TRIAL :  cpu time    580.4756: real time    585.6822
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    582.7025: real time    587.9229

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8476936E-03  (-0.9780452E-03)
 number of electron      15.0000000 magnetization      -0.0000517
 augmentation part       -0.0009563 magnetization       0.0000017

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.60570822
  -exchange      EXHF   =        33.27935662
  -V(xc)+E(xc)   XCENC  =       -83.54453838
  PAW double counting   =    100697.06499030  -100596.10712765
  entropy T*S    EENTRO =        -0.00683777
  eigenvalues    EBANDS =       -35.30094903
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220447 eV

  energy without entropy =      -13.89536670  energy(sigma->0) =      -13.89992521
  exchange ACFDT corr.  =        -0.00633641  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7207: real time      0.7267
    SETDIJ:  cpu time      1.2340: real time      1.2393
    TRIAL :  cpu time    582.4982: real time    587.7304
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2652: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    584.7231: real time    589.9689

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6829261E-03  (-0.4187027E-03)
 number of electron      15.0000000 magnetization      -0.0000508
 augmentation part       -0.0009465 magnetization       0.0000013

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.54493836
  -exchange      EXHF   =        33.28089541
  -V(xc)+E(xc)   XCENC  =       -83.54408257
  PAW double counting   =    100716.30048376  -100615.34281598
  entropy T*S    EENTRO =        -0.00682383
  eigenvalues    EBANDS =       -35.36421415
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90288739 eV

  energy without entropy =      -13.89606356  energy(sigma->0) =      -13.90061278
  exchange ACFDT corr.  =        -0.00635151  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7271
    SETDIJ:  cpu time      1.2308: real time      1.2366
    TRIAL :  cpu time    581.5328: real time    586.7566
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    583.7555: real time    588.9934

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2694100E-03  (-0.2263582E-03)
 number of electron      15.0000000 magnetization      -0.0000495
 augmentation part       -0.0009337 magnetization       0.0000009

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.47631095
  -exchange      EXHF   =        33.28220109
  -V(xc)+E(xc)   XCENC  =       -83.54364661
  PAW double counting   =    100743.18424093  -100642.22666857
  entropy T*S    EENTRO =        -0.00682822
  eigenvalues    EBANDS =       -35.43477114
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90315680 eV

  energy without entropy =      -13.89632859  energy(sigma->0) =      -13.90088073
  exchange ACFDT corr.  =        -0.00637052  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7276
    SETDIJ:  cpu time      1.2343: real time      1.2398
    TRIAL :  cpu time    583.3214: real time    588.5695
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    585.5465: real time    590.8088

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1559502E-03  (-0.1534810E-03)
 number of electron      15.0000000 magnetization      -0.0000482
 augmentation part       -0.0009191 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.60940051
  -exchange      EXHF   =        33.28340529
  -V(xc)+E(xc)   XCENC  =       -83.54321187
  PAW double counting   =    100774.72745260  -100673.76994770
  entropy T*S    EENTRO =        -0.00684234
  eigenvalues    EBANDS =       -35.30340462
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90331275 eV

  energy without entropy =      -13.89647042  energy(sigma->0) =      -13.90103198
  exchange ACFDT corr.  =        -0.00639691  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2364: real time      1.2422
    TRIAL :  cpu time    582.7889: real time    588.0767
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2666: real time      0.2688
    --------------------------------------------
      LOOP:  cpu time    585.0186: real time    590.3204

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1100648E-03  (-0.8379010E-04)
 number of electron      15.0000000 magnetization      -0.0000468
 augmentation part       -0.0009030 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.74709337
  -exchange      EXHF   =        33.28396166
  -V(xc)+E(xc)   XCENC  =       -83.54299843
  PAW double counting   =    100805.59098087  -100704.63340148
  entropy T*S    EENTRO =        -0.00685569
  eigenvalues    EBANDS =       -35.16665202
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90342282 eV

  energy without entropy =      -13.89656713  energy(sigma->0) =      -13.90113759
  exchange ACFDT corr.  =        -0.00642210  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7278
    SETDIJ:  cpu time      1.2369: real time      1.2423
    TRIAL :  cpu time    582.0128: real time    587.2988
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    584.2418: real time    589.5416

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6520582E-04  (-0.5370609E-04)
 number of electron      15.0000000 magnetization      -0.0000457
 augmentation part       -0.0008874 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.72418627
  -exchange      EXHF   =        33.28370949
  -V(xc)+E(xc)   XCENC  =       -83.54307667
  PAW double counting   =    100833.22184458  -100732.26419183
  entropy T*S    EENTRO =        -0.00686659
  eigenvalues    EBANDS =       -35.18935392
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90348803 eV

  energy without entropy =      -13.89662143  energy(sigma->0) =      -13.90119916
  exchange ACFDT corr.  =        -0.00643903  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2365: real time      1.2420
    TRIAL :  cpu time    583.9448: real time    589.1215
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    586.1736: real time    591.3642

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3645195E-04  (-0.2360451E-04)
 number of electron      15.0000000 magnetization      -0.0000446
 augmentation part       -0.0008744 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.62930677
  -exchange      EXHF   =        33.28322330
  -V(xc)+E(xc)   XCENC  =       -83.54324715
  PAW double counting   =    100857.68533749  -100756.72765638
  entropy T*S    EENTRO =        -0.00687694
  eigenvalues    EBANDS =       -35.28363065
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90352448 eV

  energy without entropy =      -13.89664754  energy(sigma->0) =      -13.90123216
  exchange ACFDT corr.  =        -0.00645062  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2357: real time      1.2412
    TRIAL :  cpu time    580.4178: real time    585.5372
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    582.6459: real time    587.7790

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1755424E-04  (-0.1402567E-04)
 number of electron      15.0000000 magnetization      -0.0000436
 augmentation part       -0.0008642 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.59752012
  -exchange      EXHF   =        33.28304833
  -V(xc)+E(xc)   XCENC  =       -83.54331817
  PAW double counting   =    100879.49291011  -100778.53524119
  entropy T*S    EENTRO =        -0.00688682
  eigenvalues    EBANDS =       -35.31516633
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90354203 eV

  energy without entropy =      -13.89665521  energy(sigma->0) =      -13.90124642
  exchange ACFDT corr.  =        -0.00646279  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(  13)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7278
    SETDIJ:  cpu time      1.2369: real time      1.2422
    TRIAL :  cpu time    582.3509: real time    587.5396
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    584.5803: real time    589.7825

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1056577E-04  (-0.7394965E-05)
 number of electron      15.0000000 magnetization      -0.0000425
 augmentation part       -0.0008563 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.62790205
  -exchange      EXHF   =        33.28317822
  -V(xc)+E(xc)   XCENC  =       -83.54328896
  PAW double counting   =    100898.61665872  -100797.65899427
  entropy T*S    EENTRO =        -0.00689489
  eigenvalues    EBANDS =       -35.28493970
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90355260 eV

  energy without entropy =      -13.89665770  energy(sigma->0) =      -13.90125430
  exchange ACFDT corr.  =        -0.00647592  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      3(  14)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2361: real time      1.2415
    TRIAL :  cpu time    587.9882: real time    593.2356
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    583.8549: real time    588.8802
    CHARGE:  cpu time      0.2651: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1174.0716: real time   1184.3578

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5163383E-05  (-0.3856497E-05)
 number of electron      15.0000000 magnetization      -0.0000414
 augmentation part       -0.0008498 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.73723803
  -Hartree energ DENC   =      -704.65221395
  -exchange      EXHF   =        33.28344271
  -V(xc)+E(xc)   XCENC  =       -83.54324805
  PAW double counting   =    100914.60314832  -100813.64550777
  entropy T*S    EENTRO =        -0.00690121
  eigenvalues    EBANDS =       -35.26081576
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90355776 eV

  energy without entropy =      -13.89665655  energy(sigma->0) =      -13.90125736
  exchange ACFDT corr.  =        -0.00648739  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9724


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8951       2 -69.7682       3 -69.7586       4 -69.7707       5 -69.8999
 
 
 
 E-fermi :   3.1553     XC(G=0):  -5.1181     alpha+bet : -8.9779

 Fermi energy:         3.1552560317

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9759      1.00000
      3      -8.6135      1.00000
      4      -6.7675      1.00000
      5      -4.3144      1.00000
      6      -1.5820      1.00000
      7       1.6591      1.00000
      8       4.6364     -0.00000
      9       5.4062     -0.00000
     10       7.9273     -0.00000
     11       7.9937     -0.00000
     12      11.8900      0.00000
     13      12.1919      0.00000
     14      16.0586      0.00000
     15      16.2926      0.00000
     16      16.5902      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7668      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0985      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0182      0.00000
     13      12.2861      0.00000
     14      13.1119      0.00000
     15      13.9099      0.00000
     16      14.3926      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7668      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0985      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0183      0.00000
     13      12.2860      0.00000
     14      13.1116      0.00000
     15      13.8656      0.00000
     16      14.5934      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7668      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0985      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0182      0.00000
     13      12.2862      0.00000
     14      13.1116      0.00000
     15      13.8702      0.00000
     16      14.3880      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4521      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4779     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2810      0.00000
     14      11.3823      0.00000
     15      12.5077      0.00000
     16      12.7730      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4521      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4779     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2809      0.00000
     14      11.3823      0.00000
     15      12.5127      0.00000
     16      12.8273      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4521      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4779     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2815      0.00000
     14      11.3823      0.00000
     15      12.5119      0.00000
     16      12.9176      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3811      1.00000
      6       0.2932      1.00000
      7       3.4489     -0.02955
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3988      0.00000
     14       9.5793      0.00000
     15       9.8071      0.00000
     16      11.6045      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3811      1.00000
      6       0.2932      1.00000
      7       3.4489     -0.02955
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3988      0.00000
     14       9.5791      0.00000
     15       9.8071      0.00000
     16      11.6219      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3811      1.00000
      6       0.2932      1.00000
      7       3.4489     -0.02955
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3988      0.00000
     14       9.5791      0.00000
     15       9.8072      0.00000
     16      11.6907      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9166      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2076     -0.00000
     14       8.7270      0.00000
     15      10.5212      0.00000
     16      10.8360      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9166      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2077     -0.00000
     14       8.7272      0.00000
     15      10.5233      0.00000
     16      10.8365      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9166      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2076     -0.00000
     14       8.7271      0.00000
     15      10.5204      0.00000
     16      10.8351      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7325      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00160
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.2029      0.00000
     15       9.7470      0.00000
     16      10.6652      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7324      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00160
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.1993      0.00000
     15       9.7468      0.00000
     16      10.4078      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7325      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00160
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.2002      0.00000
     15       9.7464      0.00000
     16      10.5266      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6277      1.00000
      8       1.3729      1.00000
      9       3.3995     -0.03544
     10       3.5449     -0.00963
     11       5.6763     -0.00000
     12       6.0243     -0.00000
     13       8.4357     -0.00000
     14       8.8803      0.00000
     15      10.3050      0.00000
     16      10.5624      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6277      1.00000
      8       1.3728      1.00000
      9       3.3995     -0.03544
     10       3.5449     -0.00963
     11       5.6763     -0.00000
     12       6.0243     -0.00000
     13       8.4358     -0.00000
     14       8.8804      0.00000
     15      10.3323      0.00000
     16      10.7059      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6277      1.00000
      8       1.3729      1.00000
      9       3.3995     -0.03544
     10       3.5449     -0.00963
     11       5.6763     -0.00000
     12       6.0243     -0.00000
     13       8.4357     -0.00000
     14       8.8800      0.00000
     15      10.2474      0.00000
     16      10.5834      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1323      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4164      0.00000
     13      11.4435      0.00000
     14      11.9028      0.00000
     15      12.0373      0.00000
     16      12.6863      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1323      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4144      0.00000
     13      11.4717      0.00000
     14      11.9069      0.00000
     15      12.0303      0.00000
     16      12.7233      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1323      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4143      0.00000
     13      11.4350      0.00000
     14      11.9123      0.00000
     15      12.0422      0.00000
     16      12.6741      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4191      0.00000
     14       9.8422      0.00000
     15      10.1747      0.00000
     16      10.7319      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4192      0.00000
     14       9.8419      0.00000
     15      10.1735      0.00000
     16      10.7318      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4191      0.00000
     14       9.8420      0.00000
     15      10.1748      0.00000
     16      10.7347      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4192      0.00000
     14       9.8423      0.00000
     15      10.1739      0.00000
     16      10.7299      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4194      0.00000
     14       9.8424      0.00000
     15      10.1765      0.00000
     16      10.7326      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8082      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75352
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4191      0.00000
     14       9.8432      0.00000
     15      10.1742      0.00000
     16      10.7277      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.8943      0.00000
     15       9.6604      0.00000
     16      10.2317      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9326      0.00000
     15       9.7964      0.00000
     16      10.1576      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9186      0.00000
     15       9.7066      0.00000
     16      10.2828      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9575      0.00000
     15       9.6439      0.00000
     16      10.2786      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9071      0.00000
     15       9.6532      0.00000
     16      10.1989      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8785      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8167     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9098      0.00000
     15      10.0348      0.00000
     16      10.2642      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99328
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9791     -0.00000
     14       8.6654      0.00000
     15       9.1035      0.00000
     16       9.1423      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99331
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9816     -0.00000
     14       8.6586      0.00000
     15       9.1004      0.00000
     16       9.1483      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99328
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9804     -0.00000
     14       8.6518      0.00000
     15       9.0992      0.00000
     16       9.1363      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99328
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9791     -0.00000
     14       8.6535      0.00000
     15       9.0995      0.00000
     16       9.1409      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99328
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9791     -0.00000
     14       8.6661      0.00000
     15       9.0993      0.00000
     16       9.1813      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99332
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9797     -0.00000
     14       8.6543      0.00000
     15       9.1033      0.00000
     16       9.1363      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7499     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0231     -0.00000
     15       8.8608      0.00000
     16       9.7269      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3653      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4963     -0.00000
     14       8.0232     -0.00000
     15       8.8593      0.00000
     16       9.7825      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7499     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0229     -0.00000
     15       8.8925      0.00000
     16       9.8421      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7499     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0230     -0.00000
     15       8.8589      0.00000
     16       9.7386      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7499     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4964     -0.00000
     14       8.0240     -0.00000
     15       8.8622      0.00000
     16       9.7204      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1100      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0232     -0.00000
     15       8.8780      0.00000
     16       9.8871      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4644      1.00000
      3      -6.0894      1.00000
      4      -4.2273      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2297     -0.00000
     11       7.3156     -0.00000
     12       7.5036     -0.00000
     13       7.5978     -0.00000
     14       8.3896     -0.00000
     15       8.8614      0.00000
     16      10.0800      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4644      1.00000
      3      -6.0894      1.00000
      4      -4.2273      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2297     -0.00000
     11       7.3156     -0.00000
     12       7.5037     -0.00000
     13       7.5977     -0.00000
     14       8.3871     -0.00000
     15       8.7493      0.00000
     16      10.0668      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4644      1.00000
      3      -6.0894      1.00000
      4      -4.2273      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2297     -0.00000
     11       7.3156     -0.00000
     12       7.5037     -0.00000
     13       7.5976     -0.00000
     14       8.3820     -0.00000
     15       8.7453      0.00000
     16      10.0499      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64860
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0115     -0.00000
     14       7.7631     -0.00000
     15       8.4191     -0.00000
     16       8.7530      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64859
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4209     -0.00000
     16       8.7583      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64861
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0116     -0.00000
     14       7.7633     -0.00000
     15       8.4222     -0.00000
     16       8.7551      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64860
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0115     -0.00000
     14       7.7639     -0.00000
     15       8.4266     -0.00000
     16       8.7545      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64859
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0116     -0.00000
     14       7.7640     -0.00000
     15       8.4182     -0.00000
     16       8.7586      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9386      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7524      1.00000
      5      -0.2971      1.00000
      6       2.1634      1.00000
      7       3.1213      0.64859
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4218     -0.00000
     16       8.7523      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0525      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4066     -0.00000
     15       7.5519     -0.00000
     16       8.8485      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0525      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7384     -0.00000
     13       6.6359     -0.00000
     14       7.4059     -0.00000
     15       7.5521     -0.00000
     16       8.8568      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7384     -0.00000
     13       6.6359     -0.00000
     14       7.4061     -0.00000
     15       7.5520     -0.00000
     16       8.8432      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7384     -0.00000
     13       6.6359     -0.00000
     14       7.4061     -0.00000
     15       7.5519     -0.00000
     16       8.8833      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0525      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4061     -0.00000
     15       7.5528     -0.00000
     16       8.8744      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0525      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7384     -0.00000
     13       6.6359     -0.00000
     14       7.4060     -0.00000
     15       7.5530     -0.00000
     16       8.9733      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2860      1.00000
      7       1.2276      1.00000
      8       1.9650      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3943     -0.00000
     14       6.7634     -0.00000
     15       7.1299     -0.00000
     16       8.9260      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2860      1.00000
      7       1.2276      1.00000
      8       1.9649      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3942     -0.00000
     14       6.7634     -0.00000
     15       7.1299     -0.00000
     16       8.8255      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2860      1.00000
      7       1.2276      1.00000
      8       1.9650      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3942     -0.00000
     14       6.7634     -0.00000
     15       7.1299     -0.00000
     16       8.7994      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9887      0.99901
      9       3.4545     -0.02787
     10       4.2319     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8455     -0.00000
     15       7.2787     -0.00000
     16       8.7031      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9887      0.99899
      9       3.4545     -0.02787
     10       4.2319     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8455     -0.00000
     15       7.2787     -0.00000
     16       8.7302      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9887      0.99902
      9       3.4545     -0.02786
     10       4.2320     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8455     -0.00000
     15       7.2789     -0.00000
     16       8.7205      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1768      0.41127
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2444     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1767      0.41150
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.3339     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1768      0.41125
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2804     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1768      0.41127
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2856     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1767      0.41135
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2630     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6649      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1767      0.41140
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1513     -0.00000
     15       6.3746     -0.00000
     16       8.4385     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8873      1.00000
      2      -0.8817      1.00000
      3      -0.8556      1.00000
      4      -0.0211      1.00000
      5       0.0688      1.00000
      6       0.0753      1.00000
      7       1.0950      1.00000
      8       1.0995      1.00000
      9       1.7932      1.00000
     10       2.6679      1.00153
     11       4.0842     -0.00000
     12       4.0907     -0.00000
     13       5.9943     -0.00000
     14       6.0056     -0.00000
     15       6.0854     -0.00000
     16       8.0190     -0.00000
 Fermi energy:         3.1552560317

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9759      1.00000
      3      -8.6135      1.00000
      4      -6.7676      1.00000
      5      -4.3145      1.00000
      6      -1.5820      1.00000
      7       1.6591      1.00000
      8       4.6363     -0.00000
      9       5.4062     -0.00000
     10       7.9273     -0.00000
     11       7.9937     -0.00000
     12      11.8900      0.00000
     13      12.1918      0.00000
     14      16.0701      0.00000
     15      16.4227      0.00000
     16      16.8009      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7669      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0986      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0182      0.00000
     13      12.2860      0.00000
     14      13.1115      0.00000
     15      13.8650      0.00000
     16      14.3351      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7669      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0986      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0182      0.00000
     13      12.2860      0.00000
     14      13.1115      0.00000
     15      13.8645      0.00000
     16      14.3202      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7669      1.00000
      3      -8.4035      1.00000
      4      -6.5558      1.00000
      5      -4.0986      1.00000
      6      -1.3720      1.00000
      7       1.8725      1.00000
      8       4.8192     -0.00000
      9       5.5805     -0.00000
     10       8.0951     -0.00000
     11       8.1586     -0.00000
     12      12.0181      0.00000
     13      12.2859      0.00000
     14      13.1118      0.00000
     15      13.8784      0.00000
     16      14.3663      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4522      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4778     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2811      0.00000
     14      11.3824      0.00000
     15      12.5204      0.00000
     16      12.9316      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4522      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4778     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2810      0.00000
     14      11.3823      0.00000
     15      12.5076      0.00000
     16      12.7728      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1395      1.00000
      3      -7.7730      1.00000
      4      -5.9206      1.00000
      5      -3.4522      1.00000
      6      -0.7433      1.00000
      7       2.4974      1.00001
      8       5.3508     -0.00000
      9       6.0983     -0.00000
     10       8.4778     -0.00000
     11       8.6289      0.00000
     12       9.7202      0.00000
     13      10.2809      0.00000
     14      11.3822      0.00000
     15      12.5136      0.00000
     16      12.8548      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3812      1.00000
      6       0.2932      1.00000
      7       3.4488     -0.02956
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3988      0.00000
     14       9.5791      0.00000
     15       9.8070      0.00000
     16      11.6082      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3812      1.00000
      6       0.2932      1.00000
      7       3.4488     -0.02956
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3989      0.00000
     14       9.5791      0.00000
     15       9.8070      0.00000
     16      11.6396      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0275      1.00000
      2      -8.0930      1.00000
      3      -6.7210      1.00000
      4      -4.8620      1.00000
      5      -2.3812      1.00000
      6       0.2932      1.00000
      7       3.4488     -0.02956
      8       5.6404     -0.00000
      9       6.5411     -0.00000
     10       6.8772     -0.00000
     11       7.0446     -0.00000
     12       8.0689     -0.00000
     13       9.3988      0.00000
     14       9.5791      0.00000
     15       9.8070      0.00000
     16      11.6199      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9166      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2076     -0.00000
     14       8.7272      0.00000
     15      10.5178      0.00000
     16      10.8368      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9167      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2076     -0.00000
     14       8.7271      0.00000
     15      10.5240      0.00000
     16      10.8393      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5655      1.00000
      2      -6.6248      1.00000
      3      -5.2461      1.00000
      4      -3.3838      1.00000
      5      -0.9166      1.00000
      6       1.5789      1.00000
      7       2.5326      1.00005
      8       3.5363     -0.01085
      9       4.8086     -0.00000
     10       5.1618     -0.00000
     11       6.5127     -0.00000
     12       7.6559     -0.00000
     13       8.2076     -0.00000
     14       8.7270      0.00000
     15      10.5258      0.00000
     16      10.8438      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7325      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00161
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.1994      0.00000
     15       9.7464      0.00000
     16      10.5454      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7325      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00160
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.2000      0.00000
     15       9.7464      0.00000
     16      10.5957      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6803      1.00000
      2      -4.7325      1.00000
      3      -3.3529      1.00000
      4      -1.5311      1.00000
      5      -0.6859      1.00000
      6       0.1300      1.00000
      7       1.1250      1.00000
      8       2.0248      1.00000
      9       3.6411     -0.00161
     10       3.7455     -0.00013
     11       5.9485     -0.00000
     12       6.7367     -0.00000
     13       8.2410     -0.00000
     14       9.1995      0.00000
     15       9.7472      0.00000
     16      10.5975      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6276      1.00000
      8       1.3728      1.00000
      9       3.3995     -0.03544
     10       3.5449     -0.00964
     11       5.6762     -0.00000
     12       6.0242     -0.00000
     13       8.4357     -0.00000
     14       8.8812      0.00000
     15      10.4940      0.00000
     16      11.1846      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6276      1.00000
      8       1.3729      1.00000
      9       3.3995     -0.03544
     10       3.5449     -0.00964
     11       5.6762     -0.00000
     12       6.0243     -0.00000
     13       8.4357     -0.00000
     14       8.8802      0.00000
     15      10.3629      0.00000
     16      10.7904      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3635      1.00000
      3      -2.4321      1.00000
      4      -2.4269      1.00000
      5      -1.2898      1.00000
      6      -0.8987      1.00000
      7       0.6276      1.00000
      8       1.3728      1.00000
      9       3.3994     -0.03544
     10       3.5449     -0.00963
     11       5.6762     -0.00000
     12       6.0243     -0.00000
     13       8.4358     -0.00000
     14       8.8808      0.00000
     15      10.5509      0.00000
     16      11.4381      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1324      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4147      0.00000
     13      11.4369      0.00000
     14      11.9016      0.00000
     15      12.0460      0.00000
     16      12.6833      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1324      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4145      0.00000
     13      11.4342      0.00000
     14      11.9064      0.00000
     15      12.0533      0.00000
     16      12.6590      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3487      1.00000
      3      -7.9832      1.00000
      4      -6.1324      1.00000
      5      -3.6674      1.00000
      6      -0.9526      1.00000
      7       2.2921      1.00000
      8       5.1782     -0.00000
      9       5.9272     -0.00000
     10       8.4194     -0.00000
     11       8.4665     -0.00000
     12      11.4147      0.00000
     13      11.4318      0.00000
     14      11.8942      0.00000
     15      12.0978      0.00000
     16      12.7696      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4191      0.00000
     14       9.8423      0.00000
     15      10.1741      0.00000
     16      10.7281      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4191      0.00000
     14       9.8428      0.00000
     15      10.1801      0.00000
     16      10.7342      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4194      0.00000
     14       9.8436      0.00000
     15      10.1745      0.00000
     16      10.7278      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4195      0.00000
     14       9.8427      0.00000
     15      10.1735      0.00000
     16      10.7290      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4193      0.00000
     14       9.8420      0.00000
     15      10.1745      0.00000
     16      10.7275      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5118      1.00000
      3      -7.1420      1.00000
      4      -5.2854      1.00000
      5      -2.8083      1.00000
      6      -0.1183      1.00000
      7       3.0945      0.75372
      8       5.8294     -0.00000
      9       6.5952     -0.00000
     10       7.8435     -0.00000
     11       8.6005     -0.00000
     12       9.0001      0.00000
     13       9.4190      0.00000
     14       9.8420      0.00000
     15      10.1740      0.00000
     16      10.7269      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6915     -0.00000
     13       8.1718     -0.00000
     14       8.9272      0.00000
     15       9.6192      0.00000
     16      10.1720      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9359      0.00000
     15       9.6509      0.00000
     16      10.2375      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1718     -0.00000
     14       8.9388      0.00000
     15       9.6116      0.00000
     16      10.2264      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.9442      0.00000
     15       9.6367      0.00000
     16      10.2344      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6914     -0.00000
     13       8.1719     -0.00000
     14       8.8897      0.00000
     15       9.6533      0.00000
     16      10.2844      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1926      1.00000
      2      -7.2546      1.00000
      3      -5.8786      1.00000
      4      -4.0161      1.00000
      5      -1.5345      1.00000
      6       1.0982      1.00000
      7       3.8166     -0.00002
      8       4.6888     -0.00000
      9       5.4202     -0.00000
     10       6.5129     -0.00000
     11       7.0898     -0.00000
     12       7.6915     -0.00000
     13       8.1719     -0.00000
     14       8.8831      0.00000
     15       9.6116      0.00000
     16      10.2026      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99333
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9792     -0.00000
     14       8.6610      0.00000
     15       9.1022      0.00000
     16       9.1720      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99330
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9802     -0.00000
     14       8.6622      0.00000
     15       9.0996      0.00000
     16       9.1472      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99333
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9825     -0.00000
     14       8.6532      0.00000
     15       9.1000      0.00000
     16       9.1518      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99333
      9       3.5272     -0.01246
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9793     -0.00000
     14       8.6515      0.00000
     15       9.1011      0.00000
     16       9.1406      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99333
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9809     -0.00000
     14       8.6522      0.00000
     15       9.0996      0.00000
     16       9.1350      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5193      1.00000
      2      -5.5743      1.00000
      3      -4.1928      1.00000
      4      -2.3377      1.00000
      5       0.0310      1.00000
      6       0.9860      1.00000
      7       1.9850      1.00000
      8       2.9933      0.99330
      9       3.5272     -0.01245
     10       5.1850     -0.00000
     11       5.9295     -0.00000
     12       7.3385     -0.00000
     13       7.9790     -0.00000
     14       8.6561      0.00000
     15       9.1015      0.00000
     16       9.1370      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0230     -0.00000
     15       8.8703      0.00000
     16       9.7242      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4962     -0.00000
     14       8.0230     -0.00000
     15       8.8581      0.00000
     16       9.7314      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4962     -0.00000
     14       8.0229     -0.00000
     15       8.8579      0.00000
     16       9.7853      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4961     -0.00000
     14       8.0229     -0.00000
     15       8.8580      0.00000
     16       9.7221      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4963     -0.00000
     14       8.0234     -0.00000
     15       8.8629      0.00000
     16       9.7320      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4216      1.00000
      2      -3.4728      1.00000
      3      -2.1101      1.00000
      4      -1.9110      1.00000
      5      -1.0323      1.00000
      6      -0.3654      1.00000
      7       0.6433      1.00000
      8       2.2892      1.00000
      9       2.6709      1.00158
     10       4.7498     -0.00000
     11       4.9084     -0.00000
     12       7.0272     -0.00000
     13       7.4962     -0.00000
     14       8.0239     -0.00000
     15       8.8582      0.00000
     16       9.7733      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4645      1.00000
      3      -6.0894      1.00000
      4      -4.2274      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2296     -0.00000
     11       7.3156     -0.00000
     12       7.5036     -0.00000
     13       7.5976     -0.00000
     14       8.3873     -0.00000
     15       8.7457      0.00000
     16      10.0675      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4645      1.00000
      3      -6.0894      1.00000
      4      -4.2274      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2296     -0.00000
     11       7.3156     -0.00000
     12       7.5036     -0.00000
     13       7.5976     -0.00000
     14       8.3866     -0.00000
     15       8.7464      0.00000
     16      10.0719      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4016      1.00000
      2      -7.4645      1.00000
      3      -6.0894      1.00000
      4      -4.2274      1.00000
      5      -1.7440      1.00000
      6       0.9068      1.00000
      7       3.9850     -0.00000
      8       6.0127     -0.00000
      9       6.4834     -0.00000
     10       7.2297     -0.00000
     11       7.3156     -0.00000
     12       7.5036     -0.00000
     13       7.5977     -0.00000
     14       8.3834     -0.00000
     15       8.7476      0.00000
     16      10.0734      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64866
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4211     -0.00000
     16       8.7527      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64868
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0115     -0.00000
     14       7.7632     -0.00000
     15       8.4258     -0.00000
     16       8.7544      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64866
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4933     -0.00000
     13       7.0117     -0.00000
     14       7.7675     -0.00000
     15       8.4216     -0.00000
     16       8.7582      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64866
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0116     -0.00000
     14       7.7638     -0.00000
     15       8.4174     -0.00000
     16       8.7555      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64866
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4232     -0.00000
     16       8.7525      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9387      1.00000
      2      -5.9954      1.00000
      3      -4.6143      1.00000
      4      -2.7525      1.00000
      5      -0.2971      1.00000
      6       2.1633      1.00000
      7       3.1212      0.64866
      8       4.1106     -0.00000
      9       5.0877     -0.00000
     10       5.3605     -0.00000
     11       5.9168     -0.00000
     12       6.4932     -0.00000
     13       7.0115     -0.00000
     14       7.7631     -0.00000
     15       8.4181     -0.00000
     16       8.7580      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8559     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4060     -0.00000
     15       7.5532     -0.00000
     16       8.8700      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7383     -0.00000
     13       6.6360     -0.00000
     14       7.4060     -0.00000
     15       7.5540     -0.00000
     16       8.8777      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8559     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4059     -0.00000
     15       7.5519     -0.00000
     16       8.8652      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8559     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4060     -0.00000
     15       7.5523     -0.00000
     16       8.8961      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4060     -0.00000
     15       7.5522     -0.00000
     16       8.8809      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0526      1.00000
      2      -4.1036      1.00000
      3      -2.7248      1.00000
      4      -0.9135      1.00000
      5      -0.0694      1.00000
      6       0.7319      1.00000
      7       1.7150      1.00000
      8       2.5956      1.00027
      9       4.0689     -0.00000
     10       4.2637     -0.00000
     11       4.8560     -0.00000
     12       5.7383     -0.00000
     13       6.6359     -0.00000
     14       7.4063     -0.00000
     15       7.5526     -0.00000
     16       8.8823      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2861      1.00000
      7       1.2276      1.00000
      8       1.9649      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3942     -0.00000
     14       6.7634     -0.00000
     15       7.1298     -0.00000
     16       8.7202      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2861      1.00000
      7       1.2276      1.00000
      8       1.9649      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3942     -0.00000
     14       6.7634     -0.00000
     15       7.1298     -0.00000
     16       8.6898      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7376      1.00000
      3      -1.8153      1.00000
      4      -1.7983      1.00000
      5      -0.6758      1.00000
      6      -0.2861      1.00000
      7       1.2276      1.00000
      8       1.9649      1.00000
      9       3.7880     -0.00004
     10       3.9084     -0.00000
     11       4.7164     -0.00000
     12       5.7620     -0.00000
     13       6.3942     -0.00000
     14       6.7634     -0.00000
     15       7.1299     -0.00000
     16       8.7635      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9886      0.99903
      9       3.4545     -0.02787
     10       4.2319     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8454     -0.00000
     15       7.2787     -0.00000
     16       8.7075      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9886      0.99904
      9       3.4545     -0.02787
     10       4.2319     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8455     -0.00000
     15       7.2788     -0.00000
     16       8.7000      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2630      1.00000
      2      -4.3144      1.00000
      3      -2.9328      1.00000
      4      -1.0958      1.00000
      5       1.1632      1.00000
      6       2.0858      1.00000
      7       2.2479      1.00000
      8       2.9886      0.99903
      9       3.4545     -0.02787
     10       4.2319     -0.00000
     11       4.4913     -0.00000
     12       4.8573     -0.00000
     13       6.2003     -0.00000
     14       6.8454     -0.00000
     15       7.2787     -0.00000
     16       8.7053      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5658      1.00012
     10       3.1767      0.41158
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2631     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1767      0.41144
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.3062     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5658      1.00012
     10       3.1767      0.41160
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.2928     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5658      1.00012
     10       3.1767      0.41163
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.3735     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5658      1.00012
     10       3.1767      0.41149
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3747     -0.00000
     16       8.2875     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1658      1.00000
      2      -2.2205      1.00000
      3      -0.8735      1.00000
      4      -0.6650      1.00000
      5       0.1904      1.00000
      6       0.8159      1.00000
      7       1.7424      1.00000
      8       1.8281      1.00000
      9       2.5659      1.00012
     10       3.1767      0.41150
     11       4.1405     -0.00000
     12       4.6631     -0.00000
     13       6.0532     -0.00000
     14       6.1512     -0.00000
     15       6.3746     -0.00000
     16       8.3421     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8873      1.00000
      2      -0.8817      1.00000
      3      -0.8556      1.00000
      4      -0.0211      1.00000
      5       0.0688      1.00000
      6       0.0753      1.00000
      7       1.0950      1.00000
      8       1.0995      1.00000
      9       1.7932      1.00000
     10       2.6679      1.00153
     11       4.0842     -0.00000
     12       4.0907     -0.00000
     13       5.9942     -0.00000
     14       6.0056     -0.00000
     15       6.0854     -0.00000
     16       8.0189     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.766   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.766   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.887 -61.895   0.000  -0.137   0.000  -0.000  -0.014  -0.000
-61.895  33.058  -0.000   0.064  -0.000   0.000   0.009   0.000
  0.000  -0.000   2.070  -0.000  -0.000  -0.321   0.000   0.000
 -0.137   0.064  -0.000   1.711  -0.000   0.000  -0.262   0.000
  0.000  -0.000  -0.000  -0.000   2.070   0.000   0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.014   0.009   0.000  -0.262   0.000  -0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.001   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    420.4721: real time    423.5653
    FORNL :  cpu time      0.4973: real time      0.5032
    FORCOR:  cpu time      1.9559: real time      1.9671
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.217E-04 0.220E-05 0.183E+03   0.408E-13 0.254E-13 -.182E+03   -.251E-04 -.333E-06 -.112E+01
   -.332E-05 -.135E-04 0.924E+02   0.461E-14 0.726E-14 -.923E+02   0.441E-05 0.121E-04 -.205E-01
   -.375E-06 -.621E-05 -.291E+00   -.144E-12 -.863E-13 0.283E+00   0.116E-05 0.586E-05 0.168E-01
   0.122E-04 -.238E-04 -.928E+02   0.134E-12 0.794E-13 0.927E+02   -.844E-05 0.262E-04 0.952E-01
   -.919E-05 -.233E-04 -.182E+03   -.449E-13 -.227E-13 0.181E+03   0.925E-05 0.250E-04 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.231E-04 -.675E-04 -.232E-02   -.971E-14 0.313E-14 -.284E-13   -.187E-04 0.688E-04 -.249E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000003      0.000002     -0.053462
      0.00000      0.00000      2.35596         0.000001     -0.000002      0.024105
      1.42873      0.82488      4.66608        -0.000000     -0.000001      0.008890
      2.85746      1.64976      6.97912         0.000004      0.000002      0.008564
      0.00000      0.00000      9.35359        -0.000001      0.000000      0.011903
 -----------------------------------------------------------------------------------
    total drift:                                0.000004      0.000003     -0.004957


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90355776 eV

  energy  without entropy=      -13.89665655  energy(sigma->0) =      -13.90125736
 
 d Force = 0.2360051E-02[ 0.439E-03, 0.428E-02]  d Energy = 0.2506436E-02-0.146E-03
 d Force =-0.3989076E-01[-0.554E-01,-0.244E-01]  d Ewald  =-0.3988391E-01-0.684E-05


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9524: real time      1.9640


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.422E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.3268
 eigenvalue spectrum of G is  3.3268


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0754
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9550: real time      1.9667
    EDDIAG:  cpu time    583.5658: real time    588.5704
    CHARGE:  cpu time      0.2648: real time      0.2670
 writing wavefunctions
     LOOP+:  cpu time   9785.9503: real time   9872.3032


--------------------------------------- Iteration      4(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7293
    SETDIJ:  cpu time      1.2326: real time      1.2380
    TRIAL :  cpu time    580.9475: real time    586.0507
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    583.1833: real time    588.3011

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6910200E-04  (-0.7202850E-04)
 number of electron      15.0000000 magnetization      -0.0000345
 augmentation part       -0.0008582 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.71344524
  -exchange      EXHF   =        33.28278977
  -V(xc)+E(xc)   XCENC  =       -83.54351367
  PAW double counting   =    100929.87543446  -100828.91774677
  entropy T*S    EENTRO =        -0.00707438
  eigenvalues    EBANDS =       -35.16395557
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90348350 eV

  energy without entropy =      -13.89640912  energy(sigma->0) =      -13.90112537
  exchange ACFDT corr.  =        -0.00661901  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2339: real time      1.2392
    TRIAL :  cpu time    581.8694: real time    586.8855
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.0951: real time    589.1249

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5835397E-04  (-0.6065970E-04)
 number of electron      15.0000000 magnetization      -0.0000342
 augmentation part       -0.0008549 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.65480167
  -exchange      EXHF   =        33.28231156
  -V(xc)+E(xc)   XCENC  =       -83.54369466
  PAW double counting   =    100933.09483240  -100832.13712563
  entropy T*S    EENTRO =        -0.00708257
  eigenvalues    EBANDS =       -35.22200998
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90354185 eV

  energy without entropy =      -13.89645928  energy(sigma->0) =      -13.90118099
  exchange ACFDT corr.  =        -0.00662904  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2340: real time      1.2395
    TRIAL :  cpu time    580.4160: real time    585.4048
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2661: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    582.6425: real time    587.6450

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4497923E-04  (-0.2945075E-04)
 number of electron      15.0000000 magnetization      -0.0000337
 augmentation part       -0.0008525 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.60708684
  -exchange      EXHF   =        33.28188168
  -V(xc)+E(xc)   XCENC  =       -83.54386319
  PAW double counting   =    100938.22346272  -100837.26575395
  entropy T*S    EENTRO =        -0.00708790
  eigenvalues    EBANDS =       -35.26916520
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90358683 eV

  energy without entropy =      -13.89649893  energy(sigma->0) =      -13.90122420
  exchange ACFDT corr.  =        -0.00662524  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2316: real time      1.2371
    TRIAL :  cpu time    582.1322: real time    587.1479
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    584.3553: real time    589.3848

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2193934E-04  (-0.1632209E-04)
 number of electron      15.0000000 magnetization      -0.0000331
 augmentation part       -0.0008505 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.59342876
  -exchange      EXHF   =        33.28175955
  -V(xc)+E(xc)   XCENC  =       -83.54392614
  PAW double counting   =    100944.07403070  -100843.11633832
  entropy T*S    EENTRO =        -0.00708985
  eigenvalues    EBANDS =       -35.28263842
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90360877 eV

  energy without entropy =      -13.89651892  energy(sigma->0) =      -13.90124549
  exchange ACFDT corr.  =        -0.00662979  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2331: real time      1.2385
    TRIAL :  cpu time    581.4106: real time    586.4709
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2665: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    583.6367: real time    588.7107

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1255372E-04  (-0.9769474E-05)
 number of electron      15.0000000 magnetization      -0.0000324
 augmentation part       -0.0008484 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.60058120
  -exchange      EXHF   =        33.28187659
  -V(xc)+E(xc)   XCENC  =       -83.54390319
  PAW double counting   =    100950.34675327  -100849.38909994
  entropy T*S    EENTRO =        -0.00708991
  eigenvalues    EBANDS =       -35.27559752
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90362132 eV

  energy without entropy =      -13.89653141  energy(sigma->0) =      -13.90125802
  exchange ACFDT corr.  =        -0.00663406  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      4(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7270
    SETDIJ:  cpu time      1.2317: real time      1.2370
    TRIAL :  cpu time    581.6515: real time    586.7205
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    584.2350: real time    589.2854
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time   1168.1092: real time   1178.2421

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7507129E-05  (-0.5024485E-05)
 number of electron      15.0000000 magnetization      -0.0000316
 augmentation part       -0.0008459 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.70263626
  -Hartree energ DENC   =      -704.61301646
  -exchange      EXHF   =        33.28224050
  -V(xc)+E(xc)   XCENC  =       -83.54384537
  PAW double counting   =    100956.73399935  -100855.77637806
  entropy T*S    EENTRO =        -0.00708995
  eigenvalues    EBANDS =       -35.26339197
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90362883 eV

  energy without entropy =      -13.89653888  energy(sigma->0) =      -13.90126551
  exchange ACFDT corr.  =        -0.00663785  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9365


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8923       2 -69.7670       3 -69.7601       4 -69.7740       5 -69.9015
 
 
 
 E-fermi :   3.1565     XC(G=0):  -5.1184     alpha+bet : -8.9779

 Fermi energy:         3.1565271212

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9062      1.00000
      2      -9.9729      1.00000
      3      -8.6120      1.00000
      4      -6.7700      1.00000
      5      -4.3147      1.00000
      6      -1.5823      1.00000
      7       1.6610      1.00000
      8       4.6343     -0.00000
      9       5.4068     -0.00000
     10       7.9272     -0.00000
     11       7.9938     -0.00000
     12      11.8906      0.00000
     13      12.1912      0.00000
     14      16.0536      0.00000
     15      16.2686      0.00000
     16      16.5377      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0188      0.00000
     13      12.2850      0.00000
     14      13.1095      0.00000
     15      13.8970      0.00000
     16      14.3821      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0189      0.00000
     13      12.2850      0.00000
     14      13.1094      0.00000
     15      13.8673      0.00000
     16      14.5809      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0188      0.00000
     13      12.2851      0.00000
     14      13.1094      0.00000
     15      13.8703      0.00000
     16      14.3739      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9231      1.00000
      5      -3.4524      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6289      0.00000
     12       9.7179      0.00000
     13      10.2833      0.00000
     14      11.3837      0.00000
     15      12.5073      0.00000
     16      12.7708      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9231      1.00000
      5      -3.4524      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6289      0.00000
     12       9.7179      0.00000
     13      10.2833      0.00000
     14      11.3837      0.00000
     15      12.5121      0.00000
     16      12.8231      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9231      1.00000
      5      -3.4524      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6289      0.00000
     12       9.7179      0.00000
     13      10.2836      0.00000
     14      11.3837      0.00000
     15      12.5117      0.00000
     16      12.9096      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8646      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4501     -0.02913
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3980      0.00000
     14       9.5778      0.00000
     15       9.8066      0.00000
     16      11.6033      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8646      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4501     -0.02913
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3980      0.00000
     14       9.5776      0.00000
     15       9.8066      0.00000
     16      11.6175      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8646      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4501     -0.02913
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3980      0.00000
     14       9.5777      0.00000
     15       9.8066      0.00000
     16      11.6719      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5391     -0.01028
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2083     -0.00000
     14       8.7265      0.00000
     15      10.5200      0.00000
     16      10.8344      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5391     -0.01028
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2084     -0.00000
     14       8.7266      0.00000
     15      10.5217      0.00000
     16      10.8352      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5391     -0.01028
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2083     -0.00000
     14       8.7265      0.00000
     15      10.5195      0.00000
     16      10.8339      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1999      0.00000
     15       9.7474      0.00000
     16      10.6572      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1974      0.00000
     15       9.7473      0.00000
     16      10.4024      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1979      0.00000
     15       9.7469      0.00000
     16      10.5135      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3664      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8974      1.00000
      7       0.6249      1.00000
      8       1.3701      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00959
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8800      0.00000
     15      10.2797      0.00000
     16      10.5552      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3664      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8974      1.00000
      7       0.6249      1.00000
      8       1.3700      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00959
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8800      0.00000
     15      10.2871      0.00000
     16      10.6849      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3664      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8974      1.00000
      7       0.6249      1.00000
      8       1.3701      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00959
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.2365      0.00000
     16      10.5661      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4665     -0.00000
     12      11.4123      0.00000
     13      11.4368      0.00000
     14      11.9014      0.00000
     15      12.0394      0.00000
     16      12.6828      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4665     -0.00000
     12      11.4109      0.00000
     13      11.4558      0.00000
     14      11.9052      0.00000
     15      12.0340      0.00000
     16      12.7152      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4666     -0.00000
     12      11.4107      0.00000
     13      11.4308      0.00000
     14      11.9089      0.00000
     15      12.0434      0.00000
     16      12.6721      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4184      0.00000
     14       9.8437      0.00000
     15      10.1720      0.00000
     16      10.7326      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4185      0.00000
     14       9.8435      0.00000
     15      10.1712      0.00000
     16      10.7324      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4184      0.00000
     14       9.8436      0.00000
     15      10.1720      0.00000
     16      10.7344      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4185      0.00000
     14       9.8437      0.00000
     15      10.1715      0.00000
     16      10.7309      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4185      0.00000
     14       9.8438      0.00000
     15      10.1731      0.00000
     16      10.7336      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1404      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0960      0.74510
      8       5.8278     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4184      0.00000
     14       9.8443      0.00000
     15      10.1717      0.00000
     16      10.7292      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.8880      0.00000
     15       9.6486      0.00000
     16      10.2259      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6920     -0.00000
     13       8.1696     -0.00000
     14       8.9145      0.00000
     15       9.7542      0.00000
     16      10.1490      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.9053      0.00000
     15       9.6877      0.00000
     16      10.2803      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.9326      0.00000
     15       9.6380      0.00000
     16      10.2761      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.8950      0.00000
     15       9.6427      0.00000
     16      10.1926      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5349      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6920     -0.00000
     13       8.1696     -0.00000
     14       8.9027      0.00000
     15      10.0247      0.00000
     16      10.2603      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99273
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9779     -0.00000
     14       8.6583      0.00000
     15       9.1026      0.00000
     16       9.1422      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99275
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3377     -0.00000
     13       7.9794     -0.00000
     14       8.6536      0.00000
     15       9.1007      0.00000
     16       9.1459      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99273
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3377     -0.00000
     13       7.9787     -0.00000
     14       8.6492      0.00000
     15       9.0998      0.00000
     16       9.1374      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99273
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3377     -0.00000
     13       7.9779     -0.00000
     14       8.6504      0.00000
     15       9.0999      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99273
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3377     -0.00000
     13       7.9779     -0.00000
     14       8.6579      0.00000
     15       9.0999      0.00000
     16       9.1690      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0304      1.00000
      6       0.9837      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99275
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3377     -0.00000
     13       7.9783     -0.00000
     14       8.6510      0.00000
     15       9.1030      0.00000
     16       9.1374      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0227     -0.00000
     15       8.8625      0.00000
     16       9.7239      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0227     -0.00000
     15       8.8612      0.00000
     16       9.7707      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4954     -0.00000
     14       8.0225     -0.00000
     15       8.8852      0.00000
     16       9.8280      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4954     -0.00000
     14       8.0226     -0.00000
     15       8.8610      0.00000
     16       9.7331      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0231     -0.00000
     15       8.8635      0.00000
     16       9.7166      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3665      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4954     -0.00000
     14       8.0227     -0.00000
     15       8.8695      0.00000
     16       9.8395      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9859     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3136     -0.00000
     12       7.5070     -0.00000
     13       7.5986     -0.00000
     14       8.3874     -0.00000
     15       8.8192      0.00000
     16      10.0743      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9859     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3136     -0.00000
     12       7.5070     -0.00000
     13       7.5985     -0.00000
     14       8.3861     -0.00000
     15       8.7486      0.00000
     16      10.0655      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9859     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3135     -0.00000
     12       7.5070     -0.00000
     13       7.5985     -0.00000
     14       8.3831     -0.00000
     15       8.7457      0.00000
     16      10.0491      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7628     -0.00000
     15       8.4163     -0.00000
     16       8.7535      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7629     -0.00000
     15       8.4170     -0.00000
     16       8.7579      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7629     -0.00000
     15       8.4186     -0.00000
     16       8.7553      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7632     -0.00000
     15       8.4214     -0.00000
     16       8.7548      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4154     -0.00000
     16       8.7582      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65368
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7629     -0.00000
     15       8.4173     -0.00000
     16       8.7529      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4071     -0.00000
     15       7.5522     -0.00000
     16       8.8456      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7403     -0.00000
     13       6.6365     -0.00000
     14       7.4067     -0.00000
     15       7.5522     -0.00000
     16       8.8541      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7403     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5522     -0.00000
     16       8.8398      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7403     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5521     -0.00000
     16       8.8811      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5525     -0.00000
     16       8.8719      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0725      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0681     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7403     -0.00000
     13       6.6365     -0.00000
     14       7.4067     -0.00000
     15       7.5527     -0.00000
     16       8.9278      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2248      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.9004      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2248      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.7998      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2248      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.7818      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2656      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2459      1.00000
      8       2.9900      0.99648
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2787     -0.00000
     16       8.6998      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2656      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2459      1.00000
      8       2.9900      0.99648
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2787     -0.00000
     16       8.7217      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2656      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2459      1.00000
      8       2.9900      0.99648
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2788     -0.00000
     16       8.7183      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1758      0.41536
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2431     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41545
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.3258     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1758      0.41534
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2700     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1758      0.41534
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2783     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41539
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2593     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1685      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1927      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41541
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1493     -0.00000
     15       6.3728     -0.00000
     16       8.4358     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8896      1.00000
      2      -0.8848      1.00000
      3      -0.8587      1.00000
      4      -0.0201      1.00000
      5       0.0730      1.00000
      6       0.0790      1.00000
      7       1.0966      1.00000
      8       1.1010      1.00000
      9       1.7939      1.00000
     10       2.6653      1.00143
     11       4.0808     -0.00000
     12       4.0884     -0.00000
     13       5.9931     -0.00000
     14       6.0050     -0.00000
     15       6.0855     -0.00000
     16       8.0174     -0.00000
 Fermi energy:         3.1565271212

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9062      1.00000
      2      -9.9729      1.00000
      3      -8.6120      1.00000
      4      -6.7700      1.00000
      5      -4.3147      1.00000
      6      -1.5823      1.00000
      7       1.6609      1.00000
      8       4.6343     -0.00000
      9       5.4068     -0.00000
     10       7.9272     -0.00000
     11       7.9938     -0.00000
     12      11.8906      0.00000
     13      12.1912      0.00000
     14      16.0645      0.00000
     15      16.4068      0.00000
     16      16.7544      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0188      0.00000
     13      12.2850      0.00000
     14      13.1093      0.00000
     15      13.8666      0.00000
     16      14.3269      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0188      0.00000
     13      12.2850      0.00000
     14      13.1093      0.00000
     15      13.8663      0.00000
     16      14.3155      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6978      1.00000
      2      -9.7639      1.00000
      3      -8.4019      1.00000
      4      -6.5583      1.00000
      5      -4.0988      1.00000
      6      -1.3723      1.00000
      7       1.8743      1.00000
      8       4.8172     -0.00000
      9       5.5812     -0.00000
     10       8.0951     -0.00000
     11       8.1587     -0.00000
     12      12.0188      0.00000
     13      12.2849      0.00000
     14      13.1095      0.00000
     15      13.8755      0.00000
     16      14.3555      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9232      1.00000
      5      -3.4525      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6288      0.00000
     12       9.7179      0.00000
     13      10.2834      0.00000
     14      11.3837      0.00000
     15      12.5192      0.00000
     16      12.9228      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9232      1.00000
      5      -3.4525      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6288      0.00000
     12       9.7179      0.00000
     13      10.2833      0.00000
     14      11.3837      0.00000
     15      12.5073      0.00000
     16      12.7710      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0726      1.00000
      2      -9.1365      1.00000
      3      -7.7714      1.00000
      4      -5.9232      1.00000
      5      -3.4525      1.00000
      6      -0.7437      1.00000
      7       2.4991      1.00002
      8       5.3489     -0.00000
      9       6.0989     -0.00000
     10       8.4776     -0.00000
     11       8.6288      0.00000
     12       9.7179      0.00000
     13      10.2832      0.00000
     14      11.3836      0.00000
     15      12.5129      0.00000
     16      12.8501      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8647      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4500     -0.02914
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3980      0.00000
     14       9.5776      0.00000
     15       9.8065      0.00000
     16      11.6067      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8647      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4500     -0.02914
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3981      0.00000
     14       9.5776      0.00000
     15       9.8065      0.00000
     16      11.6359      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0300      1.00000
      2      -8.0900      1.00000
      3      -6.7195      1.00000
      4      -4.8647      1.00000
      5      -2.3815      1.00000
      6       0.2927      1.00000
      7       3.4500     -0.02914
      8       5.6388     -0.00000
      9       6.5394     -0.00000
     10       6.8792     -0.00000
     11       7.0450     -0.00000
     12       8.0701     -0.00000
     13       9.3980      0.00000
     14       9.5777      0.00000
     15       9.8065      0.00000
     16      11.6177      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5390     -0.01029
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2083     -0.00000
     14       8.7266      0.00000
     15      10.5173      0.00000
     16      10.8355      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5390     -0.01028
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2083     -0.00000
     14       8.7265      0.00000
     15      10.5227      0.00000
     16      10.8380      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5680      1.00000
      2      -6.6218      1.00000
      3      -5.2445      1.00000
      4      -3.3865      1.00000
      5      -0.9171      1.00000
      6       1.5781      1.00000
      7       2.5302      1.00004
      8       3.5390     -0.01029
      9       4.8105     -0.00000
     10       5.1624     -0.00000
     11       6.5098     -0.00000
     12       7.6538     -0.00000
     13       8.2083     -0.00000
     14       8.7265      0.00000
     15      10.5238      0.00000
     16      10.8422      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1975      0.00000
     15       9.7469      0.00000
     16      10.5342      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1978      0.00000
     15       9.7469      0.00000
     16      10.5857      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6829      1.00000
      2      -4.7294      1.00000
      3      -3.3513      1.00000
      4      -1.5337      1.00000
      5      -0.6890      1.00000
      6       0.1325      1.00000
      7       1.1254      1.00000
      8       2.0259      1.00000
      9       3.6388     -0.00168
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7373     -0.00000
     13       8.2403     -0.00000
     14       9.1975      0.00000
     15       9.7475      0.00000
     16      10.5855      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3665      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8975      1.00000
      7       0.6248      1.00000
      8       1.3700      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00960
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8806      0.00000
     15      10.4669      0.00000
     16      11.1097      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3665      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8975      1.00000
      7       0.6248      1.00000
      8       1.3700      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00960
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8799      0.00000
     15      10.3245      0.00000
     16      10.6720      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3838      1.00000
      2      -3.3665      1.00000
      3      -2.4283      1.00000
      4      -2.4248      1.00000
      5      -1.2881      1.00000
      6      -0.8975      1.00000
      7       0.6248      1.00000
      8       1.3700      1.00000
      9       3.3988     -0.03544
     10       3.5444     -0.00959
     11       5.6753     -0.00000
     12       6.0236     -0.00000
     13       8.4364     -0.00000
     14       8.8803      0.00000
     15      10.5454      0.00000
     16      11.3724      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4665     -0.00000
     12      11.4112      0.00000
     13      11.4322      0.00000
     14      11.9008      0.00000
     15      12.0462      0.00000
     16      12.6795      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4665     -0.00000
     12      11.4108      0.00000
     13      11.4303      0.00000
     14      11.9048      0.00000
     15      12.0534      0.00000
     16      12.6560      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2810      1.00000
      2      -9.3457      1.00000
      3      -7.9816      1.00000
      4      -6.1349      1.00000
      5      -3.6677      1.00000
      6      -0.9530      1.00000
      7       2.2938      1.00000
      8       5.1763     -0.00000
      9       5.9278     -0.00000
     10       8.4193     -0.00000
     11       8.4665     -0.00000
     12      11.4111      0.00000
     13      11.4286      0.00000
     14      11.8950      0.00000
     15      12.0914      0.00000
     16      12.7636      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4184      0.00000
     14       9.8438      0.00000
     15      10.1716      0.00000
     16      10.7297      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4184      0.00000
     14       9.8439      0.00000
     15      10.1750      0.00000
     16      10.7344      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4186      0.00000
     14       9.8445      0.00000
     15      10.1719      0.00000
     16      10.7294      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4186      0.00000
     14       9.8440      0.00000
     15      10.1711      0.00000
     16      10.7303      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4185      0.00000
     14       9.8435      0.00000
     15      10.1719      0.00000
     16      10.7290      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4472      1.00000
      2      -8.5088      1.00000
      3      -7.1405      1.00000
      4      -5.2880      1.00000
      5      -2.8086      1.00000
      6      -0.1188      1.00000
      7       3.0959      0.74525
      8       5.8277     -0.00000
      9       6.5957     -0.00000
     10       7.8411     -0.00000
     11       8.6031     -0.00000
     12       8.9996      0.00000
     13       9.4183      0.00000
     14       9.8436      0.00000
     15      10.1716      0.00000
     16      10.7286      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6920     -0.00000
     13       8.1696     -0.00000
     14       8.9077      0.00000
     15       9.6178      0.00000
     16      10.1589      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.9146      0.00000
     15       9.6425      0.00000
     16      10.2304      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.9162      0.00000
     15       9.6128      0.00000
     16      10.2163      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.9202      0.00000
     15       9.6316      0.00000
     16      10.2237      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6919     -0.00000
     13       8.1696     -0.00000
     14       8.8852      0.00000
     15       9.6452      0.00000
     16      10.2817      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1951      1.00000
      2      -7.2516      1.00000
      3      -5.8770      1.00000
      4      -4.0188      1.00000
      5      -1.5350      1.00000
      6       1.0976      1.00000
      7       3.8156     -0.00002
      8       4.6888     -0.00000
      9       5.4229     -0.00000
     10       6.5137     -0.00000
     11       7.0879     -0.00000
     12       7.6920     -0.00000
     13       8.1696     -0.00000
     14       8.8806      0.00000
     15       9.6130      0.00000
     16      10.1971      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9936      0.99276
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9779     -0.00000
     14       8.6545      0.00000
     15       9.1022      0.00000
     16       9.1621      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99275
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9786     -0.00000
     14       8.6560      0.00000
     15       9.1000      0.00000
     16       9.1446      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9936      0.99276
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9798     -0.00000
     14       8.6495      0.00000
     15       9.1002      0.00000
     16       9.1479      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9936      0.99276
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9780     -0.00000
     14       8.6490      0.00000
     15       9.1010      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9936      0.99276
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9790     -0.00000
     14       8.6494      0.00000
     15       9.1000      0.00000
     16       9.1366      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5219      1.00000
      2      -5.5713      1.00000
      3      -4.1912      1.00000
      4      -2.3405      1.00000
      5       0.0303      1.00000
      6       0.9836      1.00000
      7       1.9870      1.00000
      8       2.9937      0.99275
      9       3.5282     -0.01214
     10       5.1823     -0.00000
     11       5.9299     -0.00000
     12       7.3376     -0.00000
     13       7.9779     -0.00000
     14       8.6523      0.00000
     15       9.1015      0.00000
     16       9.1379      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4954     -0.00000
     14       8.0226     -0.00000
     15       8.8685      0.00000
     16       9.7198      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0226     -0.00000
     15       8.8606      0.00000
     16       9.7276      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0226     -0.00000
     15       8.8605      0.00000
     16       9.7570      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4954     -0.00000
     14       8.0226     -0.00000
     15       8.8606      0.00000
     16       9.7189      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0227     -0.00000
     15       8.8625      0.00000
     16       9.7235      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4243      1.00000
      2      -3.4698      1.00000
      3      -2.1085      1.00000
      4      -1.9138      1.00000
      5      -1.0299      1.00000
      6      -0.3666      1.00000
      7       0.6435      1.00000
      8       2.2875      1.00000
      9       2.6693      1.00155
     10       4.7501     -0.00000
     11       4.9067     -0.00000
     12       7.0260     -0.00000
     13       7.4955     -0.00000
     14       8.0231     -0.00000
     15       8.8606      0.00000
     16       9.7624      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9858     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3136     -0.00000
     12       7.5070     -0.00000
     13       7.5985     -0.00000
     14       8.3859     -0.00000
     15       8.7460      0.00000
     16      10.0652      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9858     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3135     -0.00000
     12       7.5070     -0.00000
     13       7.5985     -0.00000
     14       8.3855     -0.00000
     15       8.7464      0.00000
     16      10.0668      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4041      1.00000
      2      -7.4615      1.00000
      3      -6.0878      1.00000
      4      -4.2300      1.00000
      5      -1.7444      1.00000
      6       0.9062      1.00000
      7       3.9858     -0.00000
      8       6.0110     -0.00000
      9       6.4817     -0.00000
     10       7.2301     -0.00000
     11       7.3135     -0.00000
     12       7.5070     -0.00000
     13       7.5985     -0.00000
     14       8.3836     -0.00000
     15       8.7467      0.00000
     16      10.0693      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4946     -0.00000
     13       7.0105     -0.00000
     14       7.7629     -0.00000
     15       8.4178     -0.00000
     16       8.7532      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7628     -0.00000
     15       8.4206     -0.00000
     16       8.7547      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7642     -0.00000
     15       8.4178     -0.00000
     16       8.7582      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4946     -0.00000
     13       7.0105     -0.00000
     14       7.7631     -0.00000
     15       8.4148     -0.00000
     16       8.7557      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4947     -0.00000
     13       7.0105     -0.00000
     14       7.7629     -0.00000
     15       8.4194     -0.00000
     16       8.7531      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9412      1.00000
      2      -5.9924      1.00000
      3      -4.6127      1.00000
      4      -2.7552      1.00000
      5      -0.2976      1.00000
      6       2.1625      1.00000
      7       3.1188      0.65375
      8       4.1132     -0.00000
      9       5.0863     -0.00000
     10       5.3618     -0.00000
     11       5.9175     -0.00000
     12       6.4946     -0.00000
     13       7.0105     -0.00000
     14       7.7628     -0.00000
     15       8.4153     -0.00000
     16       8.7578      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2609     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5529     -0.00000
     16       8.8664      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5533     -0.00000
     16       8.8536      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2609     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4067     -0.00000
     15       7.5522     -0.00000
     16       8.8600      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2609     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4067     -0.00000
     15       7.5524     -0.00000
     16       8.8854      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2609     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4068     -0.00000
     15       7.5523     -0.00000
     16       8.8719      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0552      1.00000
      2      -4.1006      1.00000
      3      -2.7232      1.00000
      4      -0.9161      1.00000
      5      -0.0726      1.00000
      6       0.7344      1.00000
      7       1.7153      1.00000
      8       2.5966      1.00028
      9       4.0680     -0.00000
     10       4.2610     -0.00000
     11       4.8537     -0.00000
     12       5.7402     -0.00000
     13       6.6365     -0.00000
     14       7.4069     -0.00000
     15       7.5525     -0.00000
     16       8.8813      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2247      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.7096      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2247      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.6826      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7582      1.00000
      2      -2.7406      1.00000
      3      -1.8132      1.00000
      4      -1.7944      1.00000
      5      -0.6741      1.00000
      6      -0.2849      1.00000
      7       1.2247      1.00000
      8       1.9623      1.00000
      9       3.7881     -0.00004
     10       3.9063     -0.00000
     11       4.7154     -0.00000
     12       5.7633     -0.00000
     13       6.3935     -0.00000
     14       6.7635     -0.00000
     15       7.1306     -0.00000
     16       8.7466      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2657      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2458      1.00000
      8       2.9900      0.99650
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2787     -0.00000
     16       8.7048      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2657      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2458      1.00000
      8       2.9900      0.99651
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2787     -0.00000
     16       8.6984      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2657      1.00000
      2      -4.3114      1.00000
      3      -2.9312      1.00000
      4      -1.0986      1.00000
      5       1.1625      1.00000
      6       2.0832      1.00000
      7       2.2458      1.00000
      8       2.9900      0.99651
      9       3.4577     -0.02703
     10       4.2331     -0.00000
     11       4.4913     -0.00000
     12       4.8581     -0.00000
     13       6.1978     -0.00000
     14       6.8430     -0.00000
     15       7.2787     -0.00000
     16       8.7033      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41553
     11       4.1394     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2598     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41546
     11       4.1393     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.3000     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41554
     11       4.1393     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2869     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41555
     11       4.1393     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.3569     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41549
     11       4.1393     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.2825     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1686      1.00000
      2      -2.2175      1.00000
      3      -0.8721      1.00000
      4      -0.6676      1.00000
      5       0.1926      1.00000
      6       0.8148      1.00000
      7       1.7400      1.00000
      8       1.8277      1.00000
      9       2.5685      1.00013
     10       3.1757      0.41549
     11       4.1393     -0.00000
     12       4.6634     -0.00000
     13       6.0527     -0.00000
     14       6.1492     -0.00000
     15       6.3728     -0.00000
     16       8.3345     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8896      1.00000
      2      -0.8848      1.00000
      3      -0.8587      1.00000
      4      -0.0201      1.00000
      5       0.0730      1.00000
      6       0.0790      1.00000
      7       1.0966      1.00000
      8       1.1010      1.00000
      9       1.7939      1.00000
     10       2.6652      1.00143
     11       4.0808     -0.00000
     12       4.0884     -0.00000
     13       5.9931     -0.00000
     14       6.0050     -0.00000
     15       6.0854     -0.00000
     16       8.0174     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000   0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.894 -61.898   0.000  -0.144   0.000  -0.000  -0.012  -0.000
-61.898  33.059  -0.000   0.068  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.069   0.000  -0.000  -0.321  -0.000   0.000
 -0.144   0.068   0.000   1.708  -0.000   0.000  -0.262   0.000
  0.000  -0.000  -0.000  -0.000   2.069   0.000   0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008  -0.000  -0.262   0.000  -0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.8700: real time    421.9625
    FORNL :  cpu time      0.4972: real time      0.5037
    FORCOR:  cpu time      1.9602: real time      1.9719
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.887E-05 -.540E-06 0.182E+03   0.369E-13 0.299E-13 -.181E+03   -.963E-05 0.268E-05 -.110E+01
   0.786E-05 -.938E-05 0.924E+02   0.911E-14 -.117E-14 -.924E+02   -.101E-04 0.445E-05 -.399E-01
   0.340E-05 -.597E-05 -.311E+00   -.150E-12 -.876E-13 0.299E+00   -.400E-05 0.719E-05 0.199E-01
   0.173E-05 -.972E-05 -.928E+02   0.138E-12 0.862E-13 0.927E+02   0.191E-05 0.109E-04 0.101E+00
   -.490E-05 -.459E-05 -.182E+03   -.436E-13 -.243E-13 0.181E+03   0.597E-05 0.491E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.188E-04 -.311E-04 -.113E-02   -.971E-14 0.313E-14 0.000E+00   -.158E-04 0.301E-04 -.102E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000003     -0.047420
      0.00000      0.00000      2.35816        -0.000002     -0.000005      0.015307
      1.42873      0.82488      4.66654        -0.000001      0.000001      0.009092
      2.85746      1.64976      6.97879         0.000003      0.000001      0.013114
      0.00000      0.00000      9.35507         0.000001      0.000000      0.009907
 -----------------------------------------------------------------------------------
    total drift:                                0.000003     -0.000000     -0.012437


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90362883 eV

  energy  without entropy=      -13.89653888  energy(sigma->0) =      -13.90126551
 
 d Force = 0.6002347E-04[ 0.482E-04, 0.719E-04]  d Energy = 0.7106800E-04-0.110E-04
 d Force = 0.3460176E-01[ 0.345E-01, 0.347E-01]  d Ewald  = 0.3460177E-01-0.427E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9533: real time      1.9648


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.283E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.8061
 eigenvalue spectrum of G is  4.8061


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0575
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9526: real time      1.9649
    EDDIAG:  cpu time    575.9517: real time    580.9509
    CHARGE:  cpu time      0.2647: real time      0.2669
 writing wavefunctions
     LOOP+:  cpu time   5088.5092: real time   5132.2079


--------------------------------------- Iteration      5(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7276
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    580.4339: real time    585.4743
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2659: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    582.6665: real time    587.7217

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1198761E-03  (-0.1213493E-03)
 number of electron      15.0000000 magnetization      -0.0000264
 augmentation part       -0.0008561 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.67289236
  -exchange      EXHF   =        33.28157228
  -V(xc)+E(xc)   XCENC  =       -83.54401742
  PAW double counting   =    100959.99379805  -100859.03611339
  entropy T*S    EENTRO =        -0.00721416
  eigenvalues    EBANDS =       -35.05599576
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90350145 eV

  energy without entropy =      -13.89628729  energy(sigma->0) =      -13.90109673
  exchange ACFDT corr.  =        -0.00672103  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7280
    SETDIJ:  cpu time      1.2356: real time      1.2410
    TRIAL :  cpu time    582.9673: real time    588.0194
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2668: real time      0.2690
    --------------------------------------------
      LOOP:  cpu time    585.1968: real time    590.2624

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6696682E-04  (-0.8920804E-04)
 number of electron      15.0000000 magnetization      -0.0000262
 augmentation part       -0.0008536 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.51064186
  -exchange      EXHF   =        33.28073215
  -V(xc)+E(xc)   XCENC  =       -83.54432154
  PAW double counting   =    100960.30405295  -100859.34630497
  entropy T*S    EENTRO =        -0.00722041
  eigenvalues    EBANDS =       -35.21722884
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90356841 eV

  energy without entropy =      -13.89634800  energy(sigma->0) =      -13.90116161
  exchange ACFDT corr.  =        -0.00672023  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7270
    SETDIJ:  cpu time      1.2314: real time      1.2369
    TRIAL :  cpu time    585.1089: real time    590.1556
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    587.3321: real time    592.3924

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5812313E-04  (-0.4044362E-04)
 number of electron      15.0000000 magnetization      -0.0000258
 augmentation part       -0.0008526 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.43123740
  -exchange      EXHF   =        33.28010767
  -V(xc)+E(xc)   XCENC  =       -83.54454888
  PAW double counting   =    100962.74757608  -100861.78982104
  entropy T*S    EENTRO =        -0.00722552
  eigenvalues    EBANDS =       -35.29584041
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90362654 eV

  energy without entropy =      -13.89640101  energy(sigma->0) =      -13.90121803
  exchange ACFDT corr.  =        -0.00671720  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7278
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    578.8256: real time    583.8893
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    581.0492: real time    586.1266

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3008867E-04  (-0.2709907E-04)
 number of electron      15.0000000 magnetization      -0.0000253
 augmentation part       -0.0008524 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.46058019
  -exchange      EXHF   =        33.28002188
  -V(xc)+E(xc)   XCENC  =       -83.54458923
  PAW double counting   =    100966.38720204  -100865.42942503
  entropy T*S    EENTRO =        -0.00722654
  eigenvalues    EBANDS =       -35.26641842
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90365662 eV

  energy without entropy =      -13.89643008  energy(sigma->0) =      -13.90124778
  exchange ACFDT corr.  =        -0.00672121  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2361: real time      1.2418
    TRIAL :  cpu time    586.5123: real time    591.6289
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2652: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    588.7395: real time    593.8702

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1755443E-04  (-0.1804094E-04)
 number of electron      15.0000000 magnetization      -0.0000247
 augmentation part       -0.0008519 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.49179669
  -exchange      EXHF   =        33.28017331
  -V(xc)+E(xc)   XCENC  =       -83.54454874
  PAW double counting   =    100970.16280169  -100869.20506007
  entropy T*S    EENTRO =        -0.00722486
  eigenvalues    EBANDS =       -35.23537499
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367418 eV

  energy without entropy =      -13.89644932  energy(sigma->0) =      -13.90126589
  exchange ACFDT corr.  =        -0.00672408  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7271
    SETDIJ:  cpu time      1.2318: real time      1.2377
    TRIAL :  cpu time    582.0080: real time    587.0963
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    584.2323: real time    589.3344

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1311803E-04  (-0.7748245E-05)
 number of electron      15.0000000 magnetization      -0.0000241
 augmentation part       -0.0008509 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.48639665
  -exchange      EXHF   =        33.28031561
  -V(xc)+E(xc)   XCENC  =       -83.54450838
  PAW double counting   =    100973.93901045  -100872.98128481
  entropy T*S    EENTRO =        -0.00722335
  eigenvalues    EBANDS =       -35.24095651
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368730 eV

  energy without entropy =      -13.89646394  energy(sigma->0) =      -13.90127951
  exchange ACFDT corr.  =        -0.00672482  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      5(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7277
    SETDIJ:  cpu time      1.2322: real time      1.2374
    TRIAL :  cpu time    581.7938: real time    586.8685
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    581.8073: real time    586.8278
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time   1165.8242: real time   1175.9330

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5857190E-05  (-0.5054330E-05)
 number of electron      15.0000000 magnetization      -0.0000235
 augmentation part       -0.0008496 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.55597360
  -Hartree energ DENC   =      -704.48095061
  -exchange      EXHF   =        33.28054803
  -V(xc)+E(xc)   XCENC  =       -83.54447040
  PAW double counting   =    100977.96807537  -100877.01039872
  entropy T*S    EENTRO =        -0.00722343
  eigenvalues    EBANDS =       -35.24652236
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90369315 eV

  energy without entropy =      -13.89646973  energy(sigma->0) =      -13.90128534
  exchange ACFDT corr.  =        -0.00672564  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9461


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8943       2 -69.7692       3 -69.7617       4 -69.7704       5 -69.8961
 
 
 
 E-fermi :   3.1570     XC(G=0):  -5.1187     alpha+bet : -8.9779

 Fermi energy:         3.1569827283

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9071      1.00000
      2      -9.9680      1.00000
      3      -8.6092      1.00000
      4      -6.7715      1.00000
      5      -4.3146      1.00000
      6      -1.5820      1.00000
      7       1.6619      1.00000
      8       4.6321     -0.00000
      9       5.4055     -0.00000
     10       7.9266     -0.00000
     11       7.9927     -0.00000
     12      11.8899      0.00000
     13      12.1907      0.00000
     14      16.0505      0.00000
     15      16.2437      0.00000
     16      16.4741      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8151     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0182      0.00000
     13      12.2843      0.00000
     14      13.1087      0.00000
     15      13.8911      0.00000
     16      14.3664      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8151     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0182      0.00000
     13      12.2843      0.00000
     14      13.1086      0.00000
     15      13.8710      0.00000
     16      14.5640      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8151     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0181      0.00000
     13      12.2843      0.00000
     14      13.1086      0.00000
     15      13.8729      0.00000
     16      14.3599      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7435      1.00000
      7       2.4999      1.00002
      8       5.3469     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2874      0.00000
     14      11.3864      0.00000
     15      12.5060      0.00000
     16      12.7690      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7435      1.00000
      7       2.4999      1.00002
      8       5.3469     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2874      0.00000
     14      11.3864      0.00000
     15      12.5105      0.00000
     16      12.8187      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7435      1.00000
      7       2.4999      1.00002
      8       5.3469     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2876      0.00000
     14      11.3864      0.00000
     15      12.5104      0.00000
     16      12.9004      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0850      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8830     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5764      0.00000
     15       9.8060      0.00000
     16      11.6030      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0850      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8829     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5763      0.00000
     15       9.8060      0.00000
     16      11.6144      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0850      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8830     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5763      0.00000
     15       9.8060      0.00000
     16      11.6575      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8135     -0.00000
     10       5.1628     -0.00000
     11       6.5082     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5184      0.00000
     16      10.8324      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8135     -0.00000
     10       5.1628     -0.00000
     11       6.5082     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5196      0.00000
     16      10.8334      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8135     -0.00000
     10       5.1628     -0.00000
     11       6.5082     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5181      0.00000
     16      10.8322      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7244      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1269      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00174
     10       3.7438     -0.00013
     11       5.9475     -0.00000
     12       6.7378     -0.00000
     13       8.2403     -0.00000
     14       9.1971      0.00000
     15       9.7460      0.00000
     16      10.6480      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7244      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1269      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00174
     10       3.7438     -0.00013
     11       5.9475     -0.00000
     12       6.7378     -0.00000
     13       8.2403     -0.00000
     14       9.1955      0.00000
     15       9.7458      0.00000
     16      10.3983      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7244      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1269      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00174
     10       3.7438     -0.00013
     11       5.9475     -0.00000
     12       6.7378     -0.00000
     13       8.2403     -0.00000
     14       9.1958      0.00000
     15       9.7456      0.00000
     16      10.4995      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8800      0.00000
     15      10.2490      0.00000
     16      10.5487      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8799      0.00000
     15      10.2713      0.00000
     16      10.6476      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8799      0.00000
     15      10.2254      0.00000
     16      10.5546      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2819      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4098      0.00000
     13      11.4322      0.00000
     14      11.9021      0.00000
     15      12.0419      0.00000
     16      12.6792      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2819      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4089      0.00000
     13      11.4448      0.00000
     14      11.9052      0.00000
     15      12.0382      0.00000
     16      12.7045      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2819      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4087      0.00000
     13      11.4283      0.00000
     14      11.9078      0.00000
     15      12.0453      0.00000
     16      12.6704      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8465      0.00000
     15      10.1708      0.00000
     16      10.7357      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8464      0.00000
     15      10.1702      0.00000
     16      10.7348      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8464      0.00000
     15      10.1708      0.00000
     16      10.7361      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8465      0.00000
     15      10.1705      0.00000
     16      10.7337      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8465      0.00000
     15      10.1713      0.00000
     16      10.7366      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8085      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74223
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8468      0.00000
     15      10.1706      0.00000
     16      10.7326      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.8840      0.00000
     15       9.6399      0.00000
     16      10.2187      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.8986      0.00000
     15       9.7113      0.00000
     16      10.1356      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.8957      0.00000
     15       9.6704      0.00000
     16      10.2771      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.9141      0.00000
     15       9.6334      0.00000
     16      10.2724      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.8877      0.00000
     15       9.6351      0.00000
     16      10.1804      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0863     -0.00000
     12       7.6907     -0.00000
     13       8.1686     -0.00000
     14       8.8966      0.00000
     15      10.0132      0.00000
     16      10.2546      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99211
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9777     -0.00000
     14       8.6528      0.00000
     15       9.1008      0.00000
     16       9.1430      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99212
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9785     -0.00000
     14       8.6501      0.00000
     15       9.0991      0.00000
     16       9.1452      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99211
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9782     -0.00000
     14       8.6473      0.00000
     15       9.0985      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99211
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9777     -0.00000
     14       8.6480      0.00000
     15       9.0986      0.00000
     16       9.1421      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99211
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9777     -0.00000
     14       8.6524      0.00000
     15       9.0986      0.00000
     16       9.1591      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99212
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9302     -0.00000
     12       7.3376     -0.00000
     13       7.9779     -0.00000
     14       8.6484      0.00000
     15       9.1010      0.00000
     16       9.1401      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0230     -0.00000
     15       8.8656      0.00000
     16       9.7216      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0230     -0.00000
     15       8.8648      0.00000
     16       9.7590      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0229     -0.00000
     15       8.8817      0.00000
     16       9.8151      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0229     -0.00000
     15       8.8647      0.00000
     16       9.7247      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8663      0.00000
     16       9.7142      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3664      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0230     -0.00000
     15       8.8694      0.00000
     16       9.8054      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4050      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3883     -0.00000
     15       8.7897      0.00000
     16      10.0681      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4050      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3877     -0.00000
     15       8.7491      0.00000
     16      10.0636      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4050      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0480      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65559
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4140     -0.00000
     16       8.7522      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65559
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4144     -0.00000
     16       8.7557      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65559
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4156     -0.00000
     16       8.7536      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65558
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7635     -0.00000
     15       8.4174     -0.00000
     16       8.7532      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65558
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0106     -0.00000
     14       7.7636     -0.00000
     15       8.4134     -0.00000
     16       8.7560      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65559
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4144     -0.00000
     16       8.7517      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7168      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4086     -0.00000
     15       7.5524     -0.00000
     16       8.8434      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5524     -0.00000
     16       8.8528      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4085     -0.00000
     15       7.5524     -0.00000
     16       8.8375      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7168      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4085     -0.00000
     15       7.5524     -0.00000
     16       8.8801      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4085     -0.00000
     15       7.5526     -0.00000
     16       8.8700      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5526     -0.00000
     16       8.8997      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7889     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.8668      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7889     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.7791      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7889     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.7662      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0822      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99377
      9       3.4628     -0.02624
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1965     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.6976      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0822      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99377
      9       3.4628     -0.02624
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1965     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.7157      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0822      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99377
      9       3.4628     -0.02624
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1965     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.7163      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41743
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2423     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41747
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.3172     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41741
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2635     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41741
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2717     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41744
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2566     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8152      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41745
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.4336     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8906      1.00000
      2      -0.8860      1.00000
      3      -0.8600      1.00000
      4      -0.0171      1.00000
      5       0.0786      1.00000
      6       0.0852      1.00000
      7       1.0983      1.00000
      8       1.1053      1.00000
      9       1.7960      1.00000
     10       2.6641      1.00137
     11       4.0812     -0.00000
     12       4.0847     -0.00000
     13       5.9932     -0.00000
     14       6.0041     -0.00000
     15       6.0860     -0.00000
     16       8.0167     -0.00000
 Fermi energy:         3.1569827283

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9071      1.00000
      2      -9.9680      1.00000
      3      -8.6092      1.00000
      4      -6.7715      1.00000
      5      -4.3146      1.00000
      6      -1.5821      1.00000
      7       1.6618      1.00000
      8       4.6321     -0.00000
      9       5.4055     -0.00000
     10       7.9266     -0.00000
     11       7.9927     -0.00000
     12      11.8898      0.00000
     13      12.1907      0.00000
     14      16.0600      0.00000
     15      16.3895      0.00000
     16      16.6849      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8150     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0182      0.00000
     13      12.2843      0.00000
     14      13.1086      0.00000
     15      13.8705      0.00000
     16      14.3212      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8150     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0182      0.00000
     13      12.2843      0.00000
     14      13.1086      0.00000
     15      13.8703      0.00000
     16      14.3125      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6987      1.00000
      2      -9.7590      1.00000
      3      -8.3991      1.00000
      4      -6.5598      1.00000
      5      -4.0987      1.00000
      6      -1.3721      1.00000
      7       1.8752      1.00000
      8       4.8150     -0.00000
      9       5.5799     -0.00000
     10       8.0944     -0.00000
     11       8.1576     -0.00000
     12      12.0181      0.00000
     13      12.2842      0.00000
     14      13.1086      0.00000
     15      13.8764      0.00000
     16      14.3449      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7436      1.00000
      7       2.4999      1.00002
      8       5.3468     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2875      0.00000
     14      11.3865      0.00000
     15      12.5171      0.00000
     16      12.9116      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7436      1.00000
      7       2.4999      1.00002
      8       5.3468     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2874      0.00000
     14      11.3864      0.00000
     15      12.5062      0.00000
     16      12.7694      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0735      1.00000
      2      -9.1316      1.00000
      3      -7.7686      1.00000
      4      -5.9247      1.00000
      5      -3.4524      1.00000
      6      -0.7436      1.00000
      7       2.4999      1.00002
      8       5.3468     -0.00000
      9       6.0977     -0.00000
     10       8.4769     -0.00000
     11       8.6280      0.00000
     12       9.7166      0.00000
     13      10.2874      0.00000
     14      11.3864      0.00000
     15      12.5113      0.00000
     16      12.8450      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0851      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8829     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5763      0.00000
     15       9.8060      0.00000
     16      11.6060      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0851      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8829     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5763      0.00000
     15       9.8060      0.00000
     16      11.6331      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0309      1.00000
      2      -8.0851      1.00000
      3      -6.7167      1.00000
      4      -4.8662      1.00000
      5      -2.3815      1.00000
      6       0.2928      1.00000
      7       3.4507     -0.02899
      8       5.6381     -0.00000
      9       6.5379     -0.00000
     10       6.8829     -0.00000
     11       7.0436     -0.00000
     12       8.0728     -0.00000
     13       9.3969      0.00000
     14       9.5763      0.00000
     15       9.8060      0.00000
     16      11.6162      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8134     -0.00000
     10       5.1628     -0.00000
     11       6.5081     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5162      0.00000
     16      10.8337      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8134     -0.00000
     10       5.1628     -0.00000
     11       6.5082     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5209      0.00000
     16      10.8359      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5690      1.00000
      2      -6.6168      1.00000
      3      -5.2417      1.00000
      4      -3.3881      1.00000
      5      -0.9171      1.00000
      6       1.5782      1.00000
      7       2.5293      1.00004
      8       3.5435     -0.00979
      9       4.8134     -0.00000
     10       5.1628     -0.00000
     11       6.5081     -0.00000
     12       7.6517     -0.00000
     13       8.2072     -0.00000
     14       8.7265      0.00000
     15      10.5214      0.00000
     16      10.8396      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7245      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1268      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00175
     10       3.7437     -0.00013
     11       5.9475     -0.00000
     12       6.7377     -0.00000
     13       8.2403     -0.00000
     14       9.1956      0.00000
     15       9.7456      0.00000
     16      10.5221      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7245      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1268      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00174
     10       3.7437     -0.00013
     11       5.9475     -0.00000
     12       6.7377     -0.00000
     13       8.2403     -0.00000
     14       9.1958      0.00000
     15       9.7456      0.00000
     16      10.5729      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6840      1.00000
      2      -4.7245      1.00000
      3      -3.3484      1.00000
      4      -1.5351      1.00000
      5      -0.6904      1.00000
      6       0.1367      1.00000
      7       1.1268      1.00000
      8       2.0280      1.00000
      9       3.6377     -0.00174
     10       3.7437     -0.00013
     11       5.9475     -0.00000
     12       6.7377     -0.00000
     13       8.2403     -0.00000
     14       9.1956      0.00000
     15       9.7461      0.00000
     16      10.5733      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8802      0.00000
     15      10.4422      0.00000
     16      10.9906      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8799      0.00000
     15      10.2907      0.00000
     16      10.5947      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3848      1.00000
      2      -3.3677      1.00000
      3      -2.4225      1.00000
      4      -2.4207      1.00000
      5      -1.2850      1.00000
      6      -0.8949      1.00000
      7       0.6234      1.00000
      8       1.3684      1.00000
      9       3.3987     -0.03543
     10       3.5444     -0.00961
     11       5.6750     -0.00000
     12       6.0238     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.5401      0.00000
     16      11.2693      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2820      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4091      0.00000
     13      11.4291      0.00000
     14      11.9020      0.00000
     15      12.0473      0.00000
     16      12.6754      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2820      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4088      0.00000
     13      11.4280      0.00000
     14      11.9050      0.00000
     15      12.0538      0.00000
     16      12.6529      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2820      1.00000
      2      -9.3408      1.00000
      3      -7.9788      1.00000
      4      -6.1364      1.00000
      5      -3.6676      1.00000
      6      -0.9528      1.00000
      7       2.2947      1.00000
      8       5.1742     -0.00000
      9       5.9265     -0.00000
     10       8.4187     -0.00000
     11       8.4655     -0.00000
     12      11.4089      0.00000
     13      11.4268      0.00000
     14      11.8977      0.00000
     15      12.0850      0.00000
     16      12.7572      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8465      0.00000
     15      10.1705      0.00000
     16      10.7333      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8465      0.00000
     15      10.1722      0.00000
     16      10.7364      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8468      0.00000
     15      10.1707      0.00000
     16      10.7328      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8466      0.00000
     15      10.1702      0.00000
     16      10.7335      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4174      0.00000
     14       9.8464      0.00000
     15      10.1707      0.00000
     16      10.7325      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4481      1.00000
      2      -8.5039      1.00000
      3      -7.1377      1.00000
      4      -5.2895      1.00000
      5      -2.8086      1.00000
      6      -0.1186      1.00000
      7       3.0967      0.74234
      8       5.8260     -0.00000
      9       6.5944     -0.00000
     10       7.8398     -0.00000
     11       8.6073     -0.00000
     12       8.9987      0.00000
     13       9.4173      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7323      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.8912      0.00000
     15       9.6186      0.00000
     16      10.1433      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.9002      0.00000
     15       9.6358      0.00000
     16      10.2218      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.9003      0.00000
     15       9.6157      0.00000
     16      10.2048      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.9037      0.00000
     15       9.6278      0.00000
     16      10.2113      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.8824      0.00000
     15       9.6393      0.00000
     16      10.2788      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1961      1.00000
      2      -7.2467      1.00000
      3      -5.8742      1.00000
      4      -4.0204      1.00000
      5      -1.5349      1.00000
      6       1.0977      1.00000
      7       3.8152     -0.00002
      8       4.6895     -0.00000
      9       5.4271     -0.00000
     10       6.5156     -0.00000
     11       7.0862     -0.00000
     12       7.6907     -0.00000
     13       8.1685     -0.00000
     14       8.8793      0.00000
     15       9.6161      0.00000
     16      10.1905      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9777     -0.00000
     14       8.6505      0.00000
     15       9.1006      0.00000
     16       9.1541      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9781     -0.00000
     14       8.6513      0.00000
     15       9.0987      0.00000
     16       9.1445      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6473      0.00000
     15       9.0988      0.00000
     16       9.1460      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9778     -0.00000
     14       8.6472      0.00000
     15       9.0995      0.00000
     16       9.1419      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9783     -0.00000
     14       8.6474      0.00000
     15       9.0986      0.00000
     16       9.1397      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5229      1.00000
      2      -5.5663      1.00000
      3      -4.1884      1.00000
      4      -2.3420      1.00000
      5       0.0303      1.00000
      6       0.9830      1.00000
      7       1.9908      1.00000
      8       2.9949      0.99213
      9       3.5304     -0.01186
     10       5.1808     -0.00000
     11       5.9301     -0.00000
     12       7.3376     -0.00000
     13       7.9777     -0.00000
     14       8.6490      0.00000
     15       9.0997      0.00000
     16       9.1406      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4955     -0.00000
     14       8.0230     -0.00000
     15       8.8694      0.00000
     16       9.7169      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0229     -0.00000
     15       8.8645      0.00000
     16       9.7247      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0229     -0.00000
     15       8.8644      0.00000
     16       9.7379      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4955     -0.00000
     14       8.0229     -0.00000
     15       8.8645      0.00000
     16       9.7161      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0230     -0.00000
     15       8.8653      0.00000
     16       9.7176      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4254      1.00000
      2      -3.4648      1.00000
      3      -2.1057      1.00000
      4      -1.9149      1.00000
      5      -1.0256      1.00000
      6      -0.3665      1.00000
      7       0.6452      1.00000
      8       2.2867      1.00000
      9       2.6685      1.00152
     10       4.7507     -0.00000
     11       4.9059     -0.00000
     12       7.0259     -0.00000
     13       7.4956     -0.00000
     14       8.0232     -0.00000
     15       8.8645      0.00000
     16       9.7518      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4051      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3873     -0.00000
     15       8.7476      0.00000
     16      10.0624      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4051      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3872     -0.00000
     15       8.7477      0.00000
     16      10.0616      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4051      1.00000
      2      -7.4565      1.00000
      3      -6.0850      1.00000
      4      -4.2316      1.00000
      5      -1.7444      1.00000
      6       0.9063      1.00000
      7       3.9863     -0.00000
      8       6.0102     -0.00000
      9       6.4813     -0.00000
     10       7.2317     -0.00000
     11       7.3127     -0.00000
     12       7.5119     -0.00000
     13       7.5978     -0.00000
     14       8.3862     -0.00000
     15       8.7478      0.00000
     16      10.0647      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65564
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4150     -0.00000
     16       8.7520      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65564
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4167     -0.00000
     16       8.7532      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65565
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0106     -0.00000
     14       7.7640     -0.00000
     15       8.4143     -0.00000
     16       8.7557      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65564
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7635     -0.00000
     15       8.4129     -0.00000
     16       8.7540      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65564
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4160     -0.00000
     16       8.7519      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9422      1.00000
      2      -5.9874      1.00000
      3      -4.6099      1.00000
      4      -2.7568      1.00000
      5      -0.2976      1.00000
      6       2.1626      1.00000
      7       3.1180      0.65564
      8       4.1176     -0.00000
      9       5.0859     -0.00000
     10       5.3643     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0105     -0.00000
     14       7.7633     -0.00000
     15       8.4134     -0.00000
     16       8.7557      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5527     -0.00000
     16       8.8635      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8528     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5530     -0.00000
     16       8.8391      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8528     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5524     -0.00000
     16       8.8566      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8528     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5525     -0.00000
     16       8.8777      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8529     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4084     -0.00000
     15       7.5524     -0.00000
     16       8.8654      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0563      1.00000
      2      -4.0956      1.00000
      3      -2.7203      1.00000
      4      -0.9175      1.00000
      5      -0.0740      1.00000
      6       0.7386      1.00000
      7       1.7167      1.00000
      8       2.5987      1.00029
      9       4.0683     -0.00000
     10       4.2594     -0.00000
     11       4.8528     -0.00000
     12       5.7438     -0.00000
     13       6.6380     -0.00000
     14       7.4085     -0.00000
     15       7.5526     -0.00000
     16       8.8807      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7888     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3935     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.7001      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7888     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3935     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.6770      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7592      1.00000
      2      -2.7418      1.00000
      3      -1.8092      1.00000
      4      -1.7885      1.00000
      5      -0.6709      1.00000
      6      -0.2824      1.00000
      7       1.2233      1.00000
      8       1.9608      1.00000
      9       3.7888     -0.00004
     10       3.9051     -0.00000
     11       4.7158     -0.00000
     12       5.7664     -0.00000
     13       6.3935     -0.00000
     14       6.7644     -0.00000
     15       7.1326     -0.00000
     16       8.7323      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0821      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99379
      9       3.4628     -0.02624
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1965     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.7028      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0821      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99379
      9       3.4628     -0.02624
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1966     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.6972      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2667      1.00000
      2      -4.3064      1.00000
      3      -2.9283      1.00000
      4      -1.1001      1.00000
      5       1.1625      1.00000
      6       2.0821      1.00000
      7       2.2457      1.00000
      8       2.9932      0.99379
      9       3.4628     -0.02625
     10       4.2357     -0.00000
     11       4.4922     -0.00000
     12       4.8601     -0.00000
     13       6.1965     -0.00000
     14       6.8415     -0.00000
     15       7.2787     -0.00000
     16       8.7017      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41753
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2570     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41750
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2933     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41754
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0527     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2809     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41754
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0526     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.3413     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41752
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0526     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.2775     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1697      1.00000
      2      -2.2125      1.00000
      3      -0.8694      1.00000
      4      -0.6685      1.00000
      5       0.1969      1.00000
      6       0.8151      1.00000
      7       1.7390      1.00000
      8       1.8289      1.00000
      9       2.5729      1.00015
     10       3.1761      0.41751
     11       4.1393     -0.00000
     12       4.6647     -0.00000
     13       6.0526     -0.00000
     14       6.1483     -0.00000
     15       6.3719     -0.00000
     16       8.3262     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8906      1.00000
      2      -0.8860      1.00000
      3      -0.8600      1.00000
      4      -0.0171      1.00000
      5       0.0786      1.00000
      6       0.0852      1.00000
      7       1.0983      1.00000
      8       1.1053      1.00000
      9       1.7960      1.00000
     10       2.6641      1.00137
     11       4.0811     -0.00000
     12       4.0847     -0.00000
     13       5.9932     -0.00000
     14       6.0041     -0.00000
     15       6.0860     -0.00000
     16       8.0168     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.913 -61.908   0.000  -0.149   0.000  -0.000  -0.012  -0.000
-61.908  33.065  -0.000   0.071  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.069   0.000  -0.000  -0.321  -0.000   0.000
 -0.149   0.071   0.000   1.705  -0.000  -0.000  -0.261   0.000
  0.000  -0.000  -0.000  -0.000   2.069   0.000   0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.7141: real time    422.8200
    FORNL :  cpu time      0.4983: real time      0.5043
    FORCOR:  cpu time      1.9633: real time      1.9752
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.669E-05 -.162E-05 0.182E+03   0.412E-13 0.275E-13 -.181E+03   -.704E-05 0.371E-05 -.109E+01
   0.380E-05 -.418E-05 0.925E+02   0.562E-14 0.150E-14 -.925E+02   -.515E-05 0.122E-05 -.546E-01
   0.218E-05 -.444E-05 -.327E+00   -.147E-12 -.825E-13 0.310E+00   -.187E-05 0.623E-05 0.253E-01
   0.169E-05 -.633E-05 -.929E+02   0.130E-12 0.776E-13 0.928E+02   0.925E-08 0.760E-05 0.105E+00
   -.201E-05 -.298E-05 -.182E+03   -.397E-13 -.209E-13 0.181E+03   0.262E-05 0.322E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.129E-04 -.206E-04 -.743E-02   -.971E-14 0.313E-14 0.284E-13   -.114E-04 0.220E-04 -.870E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000002     -0.037890
      0.00000      0.00000      2.36051        -0.000002     -0.000004      0.003340
      1.42873      0.82488      4.66741        -0.000000      0.000001      0.010879
      2.85746      1.64976      6.97933         0.000002      0.000001      0.018113
      0.00000      0.00000      9.35680         0.000000     -0.000000      0.005558
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000002     -0.017301


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90369315 eV

  energy  without entropy=      -13.89646973  energy(sigma->0) =      -13.90128534
 
 d Force = 0.5235044E-04[ 0.366E-04, 0.681E-04]  d Energy = 0.6432500E-04-0.120E-04
 d Force = 0.1466627E+00[ 0.147E+00, 0.147E+00]  d Ewald  = 0.1466627E+00-0.473E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9521: real time      1.9641


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.236E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.4286
 eigenvalue spectrum of G is  3.4286


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0307
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0850
    POTLOK:  cpu time      1.9560: real time      1.9683
    EDDIAG:  cpu time    583.9436: real time    588.9415
    CHARGE:  cpu time      0.2652: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   5686.3663: real time   5735.3221


--------------------------------------- Iteration      6(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7280
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    583.8340: real time    588.8947
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    586.0683: real time    591.1439

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1183661E-03  (-0.5477462E-03)
 number of electron      15.0000000 magnetization      -0.0000197
 augmentation part       -0.0008495 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.46103568
  -exchange      EXHF   =        33.28052015
  -V(xc)+E(xc)   XCENC  =       -83.54443645
  PAW double counting   =    100980.68337121  -100879.72567004
  entropy T*S    EENTRO =        -0.00718960
  eigenvalues    EBANDS =       -35.19611220
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90356893 eV

  energy without entropy =      -13.89637933  energy(sigma->0) =      -13.90117240
  exchange ACFDT corr.  =        -0.00671073  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7280
    SETDIJ:  cpu time      1.2313: real time      1.2371
    TRIAL :  cpu time    583.2281: real time    588.3133
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    585.4513: real time    590.5507

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4174758E-04  (-0.4332271E-03)
 number of electron      15.0000000 magnetization      -0.0000193
 augmentation part       -0.0008489 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.39522397
  -exchange      EXHF   =        33.28040301
  -V(xc)+E(xc)   XCENC  =       -83.54447965
  PAW double counting   =    100981.08220869  -100880.12452000
  entropy T*S    EENTRO =        -0.00718630
  eigenvalues    EBANDS =       -35.26171597
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90352718 eV

  energy without entropy =      -13.89634088  energy(sigma->0) =      -13.90113175
  exchange ACFDT corr.  =        -0.00670585  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7278
    SETDIJ:  cpu time      1.2352: real time      1.2406
    TRIAL :  cpu time    584.2692: real time    589.3054
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    586.4972: real time    591.5474

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1671667E-03  ( 0.4113847E-05)
 number of electron      15.0000000 magnetization      -0.0000189
 augmentation part       -0.0008481 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.37939629
  -exchange      EXHF   =        33.28040230
  -V(xc)+E(xc)   XCENC  =       -83.54447254
  PAW double counting   =    100982.20843288  -100881.25075157
  entropy T*S    EENTRO =        -0.00718495
  eigenvalues    EBANDS =       -35.27771311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90369435 eV

  energy without entropy =      -13.89650940  energy(sigma->0) =      -13.90129937
  exchange ACFDT corr.  =        -0.00670359  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2371: real time      1.2425
    TRIAL :  cpu time    581.7033: real time    586.6942
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2668: real time      0.2690
    --------------------------------------------
      LOOP:  cpu time    583.9332: real time    588.9378

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8691306E-05  (-0.9205283E-04)
 number of electron      15.0000000 magnetization      -0.0000184
 augmentation part       -0.0008468 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.42289842
  -exchange      EXHF   =        33.28054214
  -V(xc)+E(xc)   XCENC  =       -83.54441798
  PAW double counting   =    100984.77621220  -100883.81853540
  entropy T*S    EENTRO =        -0.00718397
  eigenvalues    EBANDS =       -35.23439354
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368566 eV

  energy without entropy =      -13.89650169  energy(sigma->0) =      -13.90129100
  exchange ACFDT corr.  =        -0.00670409  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7269
    SETDIJ:  cpu time      1.2334: real time      1.2388
    TRIAL :  cpu time    585.5170: real time    590.5516
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    587.7426: real time    592.7907

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2174347E-06  (-0.5594433E-04)
 number of electron      15.0000000 magnetization      -0.0000179
 augmentation part       -0.0008450 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.44763938
  -exchange      EXHF   =        33.28060532
  -V(xc)+E(xc)   XCENC  =       -83.54439290
  PAW double counting   =    100987.65426614  -100886.69657384
  entropy T*S    EENTRO =        -0.00718354
  eigenvalues    EBANDS =       -35.20975754
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368588 eV

  energy without entropy =      -13.89650234  energy(sigma->0) =      -13.90129136
  exchange ACFDT corr.  =        -0.00670421  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2329: real time      1.2383
    TRIAL :  cpu time    583.0911: real time    588.1207
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2657: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    585.3161: real time    590.3597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2374667E-04  ( 0.1079193E-05)
 number of electron      15.0000000 magnetization      -0.0000174
 augmentation part       -0.0008433 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.42946132
  -exchange      EXHF   =        33.28053024
  -V(xc)+E(xc)   XCENC  =       -83.54441651
  PAW double counting   =    100990.22497659  -100889.26727249
  entropy T*S    EENTRO =        -0.00718317
  eigenvalues    EBANDS =       -35.22787289
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370962 eV

  energy without entropy =      -13.89652646  energy(sigma->0) =      -13.90131523
  exchange ACFDT corr.  =        -0.00670297  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    582.6638: real time    587.7151
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    584.8866: real time    589.9518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2658635E-05  (-0.1485251E-04)
 number of electron      15.0000000 magnetization      -0.0000169
 augmentation part       -0.0008417 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.41190840
  -exchange      EXHF   =        33.28046214
  -V(xc)+E(xc)   XCENC  =       -83.54443908
  PAW double counting   =    100992.82641044  -100891.86868954
  entropy T*S    EENTRO =        -0.00718310
  eigenvalues    EBANDS =       -35.24534965
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370696 eV

  energy without entropy =      -13.89652387  energy(sigma->0) =      -13.90131260
  exchange ACFDT corr.  =        -0.00670184  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      6(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7278
    SETDIJ:  cpu time      1.2309: real time      1.2365
    TRIAL :  cpu time    584.6431: real time    589.6631
    CORREC:  cpu time      0.0035: real time      0.0035
    EDDIAG:  cpu time    579.3890: real time    584.4141
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time   1166.2543: real time   1176.3135

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1079490E-05  (-0.7043169E-05)
 number of electron      15.0000000 magnetization      -0.0000165
 augmentation part       -0.0008403 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.48560604
  -Hartree energ DENC   =      -704.41525020
  -exchange      EXHF   =        33.28048659
  -V(xc)+E(xc)   XCENC  =       -83.54443759
  PAW double counting   =    100995.57860700  -100894.62088455
  entropy T*S    EENTRO =        -0.00718326
  eigenvalues    EBANDS =       -35.24201452
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370804 eV

  energy without entropy =      -13.89652478  energy(sigma->0) =      -13.90131362
  exchange ACFDT corr.  =        -0.00670159  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9761


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8795       2 -69.7573       3 -69.7600       4 -69.7822       5 -69.9114
 
 
 
 E-fermi :   3.1570     XC(G=0):  -5.1186     alpha+bet : -8.9779

 Fermi energy:         3.1569968206

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9054      1.00000
      2      -9.9689      1.00000
      3      -8.6095      1.00000
      4      -6.7707      1.00000
      5      -4.3145      1.00000
      6      -1.5818      1.00000
      7       1.6614      1.00000
      8       4.6324     -0.00000
      9       5.4054     -0.00000
     10       7.9264     -0.00000
     11       7.9928     -0.00000
     12      11.8902      0.00000
     13      12.1905      0.00000
     14      16.0502      0.00000
     15      16.2177      0.00000
     16      16.4127      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0986      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2842      0.00000
     14      13.1101      0.00000
     15      13.8841      0.00000
     16      14.3542      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0986      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2841      0.00000
     14      13.1101      0.00000
     15      13.8704      0.00000
     16      14.5429      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0986      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2842      0.00000
     14      13.1101      0.00000
     15      13.8717      0.00000
     16      14.3482      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5057      0.00000
     16      12.7688      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5098      0.00000
     16      12.8148      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5100      0.00000
     16      12.8904      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4504     -0.02903
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8824     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5767      0.00000
     15       9.8062      0.00000
     16      11.6029      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4504     -0.02903
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8824     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5766      0.00000
     15       9.8062      0.00000
     16      11.6124      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4504     -0.02903
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8824     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5766      0.00000
     15       9.8062      0.00000
     16      11.6459      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5309      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7266      0.00000
     15      10.5175      0.00000
     16      10.8317      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5309      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7266      0.00000
     15      10.5182      0.00000
     16      10.8324      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5309      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7266      0.00000
     15      10.5175      0.00000
     16      10.8314      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1267      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1968      0.00000
     15       9.7458      0.00000
     16      10.6359      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1266      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1959      0.00000
     15       9.7457      0.00000
     16      10.3972      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1267      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1960      0.00000
     15       9.7455      0.00000
     16      10.4841      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3829      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6243      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.2351      0.00000
     16      10.5458      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3829      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6243      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.2570      0.00000
     16      10.6175      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3829      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6243      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.2216      0.00000
     16      10.5472      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4113      0.00000
     13      11.4313      0.00000
     14      11.8995      0.00000
     15      12.0407      0.00000
     16      12.6760      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4111      0.00000
     13      11.4380      0.00000
     14      11.9024      0.00000
     15      12.0372      0.00000
     16      12.6912      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4107      0.00000
     13      11.4287      0.00000
     14      11.9040      0.00000
     15      12.0422      0.00000
     16      12.6661      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1719      0.00000
     16      10.7332      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1715      0.00000
     16      10.7335      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1719      0.00000
     16      10.7340      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1717      0.00000
     16      10.7325      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1722      0.00000
     16      10.7343      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1379      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0963      0.74312
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8463      0.00000
     15      10.1717      0.00000
     16      10.7318      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8837      0.00000
     15       9.6289      0.00000
     16      10.2114      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8876      0.00000
     15       9.6693      0.00000
     16      10.1201      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8909      0.00000
     15       9.6520      0.00000
     16      10.2743      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.9023      0.00000
     15       9.6264      0.00000
     16      10.2696      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8833      0.00000
     15       9.6262      0.00000
     16      10.1640      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8950      0.00000
     15      10.0003      0.00000
     16      10.2484      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6512      0.00000
     15       9.1002      0.00000
     16       9.1404      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9788     -0.00000
     14       8.6496      0.00000
     15       9.0991      0.00000
     16       9.1417      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9786     -0.00000
     14       8.6477      0.00000
     15       9.0985      0.00000
     16       9.1392      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6483      0.00000
     15       9.0986      0.00000
     16       9.1400      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6512      0.00000
     15       9.0986      0.00000
     16       9.1490      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99254
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9785     -0.00000
     14       8.6484      0.00000
     15       9.1004      0.00000
     16       9.1393      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8645      0.00000
     16       9.7198      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8638      0.00000
     16       9.7503      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8743      0.00000
     16       9.7897      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8637      0.00000
     16       9.7184      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8649      0.00000
     16       9.7118      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8666      0.00000
     16       9.7798      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2319     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3865     -0.00000
     15       8.7714      0.00000
     16      10.0640      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2319     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3862     -0.00000
     15       8.7486      0.00000
     16      10.0632      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2319     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3854     -0.00000
     15       8.7474      0.00000
     16      10.0478      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65412
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4140     -0.00000
     16       8.7519      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65413
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7634     -0.00000
     15       8.4139     -0.00000
     16       8.7546      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65412
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7634     -0.00000
     15       8.4150     -0.00000
     16       8.7530      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65412
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7636     -0.00000
     15       8.4165     -0.00000
     16       8.7527      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65412
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4133     -0.00000
     16       8.7549      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65413
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7634     -0.00000
     15       8.4138     -0.00000
     16       8.7515      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4084     -0.00000
     15       7.5521     -0.00000
     16       8.8440      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5521     -0.00000
     16       8.8518      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4083     -0.00000
     15       7.5521     -0.00000
     16       8.8379      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4083     -0.00000
     15       7.5521     -0.00000
     16       8.8795      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5521     -0.00000
     16       8.8708      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5522     -0.00000
     16       8.8869      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2242      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7660     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.8263      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2242      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7660     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.7627      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2242      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7660     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.7537      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0992      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99457
      9       3.4619     -0.02652
     10       4.2352     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.6970      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0992      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99457
      9       3.4619     -0.02652
     10       4.2352     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.7121      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0992      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99457
      9       3.4619     -0.02652
     10       4.2352     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.7149      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41755
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2413     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41756
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.3087     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41754
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2584     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41754
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2661     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41755
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2537     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1763      0.41756
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.4326     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8855      1.00000
      3      -0.8582      1.00000
      4      -0.0174      1.00000
      5       0.0795      1.00000
      6       0.0821      1.00000
      7       1.1013      1.00000
      8       1.1016      1.00000
      9       1.7958      1.00000
     10       2.6648      1.00138
     11       4.0760     -0.00000
     12       4.0914     -0.00000
     13       5.9924     -0.00000
     14       6.0052     -0.00000
     15       6.0859     -0.00000
     16       8.0168     -0.00000
 Fermi energy:         3.1569968206

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9054      1.00000
      2      -9.9689      1.00000
      3      -8.6095      1.00000
      4      -6.7707      1.00000
      5      -4.3145      1.00000
      6      -1.5819      1.00000
      7       1.6613      1.00000
      8       4.6324     -0.00000
      9       5.4054     -0.00000
     10       7.9264     -0.00000
     11       7.9928     -0.00000
     12      11.8902      0.00000
     13      12.1905      0.00000
     14      16.0592      0.00000
     15      16.3632      0.00000
     16      16.5969      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0987      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2841      0.00000
     14      13.1101      0.00000
     15      13.8693      0.00000
     16      14.3173      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0987      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2841      0.00000
     14      13.1101      0.00000
     15      13.8693      0.00000
     16      14.3119      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6970      1.00000
      2      -9.7599      1.00000
      3      -8.3994      1.00000
      4      -6.5590      1.00000
      5      -4.0987      1.00000
      6      -1.3719      1.00000
      7       1.8747      1.00000
      8       4.8154     -0.00000
      9       5.5798     -0.00000
     10       8.0942     -0.00000
     11       8.1578     -0.00000
     12      12.0185      0.00000
     13      12.2841      0.00000
     14      13.1101      0.00000
     15      13.8727      0.00000
     16      14.3359      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5160      0.00000
     16      12.8986      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5060      0.00000
     16      12.7694      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0718      1.00000
      2      -9.1325      1.00000
      3      -7.7689      1.00000
      4      -5.9238      1.00000
      5      -3.4523      1.00000
      6      -0.7433      1.00000
      7       2.4994      1.00002
      8       5.3472     -0.00000
      9       6.0976     -0.00000
     10       8.4771     -0.00000
     11       8.6280      0.00000
     12       9.7182      0.00000
     13      10.2867      0.00000
     14      11.3861      0.00000
     15      12.5106      0.00000
     16      12.8401      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4503     -0.02904
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8823     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5766      0.00000
     15       9.8062      0.00000
     16      11.6058      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4503     -0.02904
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8823     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5766      0.00000
     15       9.8062      0.00000
     16      11.6312      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0292      1.00000
      2      -8.0860      1.00000
      3      -6.7170      1.00000
      4      -4.8654      1.00000
      5      -2.3814      1.00000
      6       0.2931      1.00000
      7       3.4503     -0.02904
      8       5.6391     -0.00000
      9       6.5386     -0.00000
     10       6.8823     -0.00000
     11       7.0436     -0.00000
     12       8.0725     -0.00000
     13       9.3971      0.00000
     14       9.5766      0.00000
     15       9.8062      0.00000
     16      11.6153      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5308      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7267      0.00000
     15      10.5159      0.00000
     16      10.8325      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5308      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7266      0.00000
     15      10.5198      0.00000
     16      10.8350      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6177      1.00000
      3      -5.2420      1.00000
      4      -3.3872      1.00000
      5      -0.9170      1.00000
      6       1.5787      1.00000
      7       2.5308      1.00004
      8       3.5427     -0.00994
      9       4.8129     -0.00000
     10       5.1626     -0.00000
     11       6.5090     -0.00000
     12       7.6521     -0.00000
     13       8.2071     -0.00000
     14       8.7266      0.00000
     15      10.5198      0.00000
     16      10.8383      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1266      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1959      0.00000
     15       9.7455      0.00000
     16      10.5046      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1266      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1960      0.00000
     15       9.7456      0.00000
     16      10.5611      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7254      1.00000
      3      -3.3487      1.00000
      4      -1.5342      1.00000
      5      -0.6885      1.00000
      6       0.1359      1.00000
      7       1.1266      1.00000
      8       2.0278      1.00000
      9       3.6383     -0.00173
     10       3.7442     -0.00013
     11       5.9477     -0.00000
     12       6.7374     -0.00000
     13       8.2405     -0.00000
     14       9.1959      0.00000
     15       9.7459      0.00000
     16      10.5621      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3830      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6242      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8800      0.00000
     15      10.4096      0.00000
     16      10.8233      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3830      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6242      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.2671      0.00000
     16      10.5614      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3830      1.00000
      2      -3.3659      1.00000
      3      -2.4235      1.00000
      4      -2.4214      1.00000
      5      -1.2853      1.00000
      6      -0.8952      1.00000
      7       0.6242      1.00000
      8       1.3692      1.00000
      9       3.3988     -0.03542
     10       3.5445     -0.00967
     11       5.6753     -0.00000
     12       6.0240     -0.00000
     13       8.4364     -0.00000
     14       8.8798      0.00000
     15      10.5377      0.00000
     16      10.9602      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4111      0.00000
     13      11.4294      0.00000
     14      11.8997      0.00000
     15      12.0441      0.00000
     16      12.6704      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4108      0.00000
     13      11.4284      0.00000
     14      11.9020      0.00000
     15      12.0506      0.00000
     16      12.6508      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2803      1.00000
      2      -9.3417      1.00000
      3      -7.9791      1.00000
      4      -6.1356      1.00000
      5      -3.6675      1.00000
      6      -0.9526      1.00000
      7       2.2942      1.00000
      8       5.1745     -0.00000
      9       5.9265     -0.00000
     10       8.4185     -0.00000
     11       8.4657     -0.00000
     12      11.4110      0.00000
     13      11.4275      0.00000
     14      11.8966      0.00000
     15      12.0762      0.00000
     16      12.7499      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8461      0.00000
     15      10.1717      0.00000
     16      10.7323      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8461      0.00000
     15      10.1727      0.00000
     16      10.7335      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8463      0.00000
     15      10.1718      0.00000
     16      10.7320      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4178      0.00000
     14       9.8462      0.00000
     15      10.1715      0.00000
     16      10.7326      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1718      0.00000
     16      10.7313      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4464      1.00000
      2      -8.5048      1.00000
      3      -7.1380      1.00000
      4      -5.2887      1.00000
      5      -2.8085      1.00000
      6      -0.1184      1.00000
      7       3.0962      0.74321
      8       5.8263     -0.00000
      9       6.5944     -0.00000
     10       7.8414     -0.00000
     11       8.6065     -0.00000
     12       8.9989      0.00000
     13       9.4177      0.00000
     14       9.8460      0.00000
     15      10.1717      0.00000
     16      10.7314      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8839      0.00000
     15       9.6163      0.00000
     16      10.1261      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8929      0.00000
     15       9.6270      0.00000
     16      10.2136      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8909      0.00000
     15       9.6145      0.00000
     16      10.1935      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8946      0.00000
     15       9.6214      0.00000
     16      10.1992      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8829      0.00000
     15       9.6307      0.00000
     16      10.2768      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2476      1.00000
      3      -5.8745      1.00000
      4      -4.0195      1.00000
      5      -1.5349      1.00000
      6       1.0980      1.00000
      7       3.8160     -0.00002
      8       4.6899     -0.00000
      9       5.4262     -0.00000
     10       6.5156     -0.00000
     11       7.0866     -0.00000
     12       7.6907     -0.00000
     13       8.1693     -0.00000
     14       8.8809      0.00000
     15       9.6153      0.00000
     16      10.1839      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6497      0.00000
     15       9.0999      0.00000
     16       9.1469      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9786     -0.00000
     14       8.6500      0.00000
     15       9.0987      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9789     -0.00000
     14       8.6477      0.00000
     15       9.0988      0.00000
     16       9.1427      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6476      0.00000
     15       9.0991      0.00000
     16       9.1402      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9787     -0.00000
     14       8.6477      0.00000
     15       9.0987      0.00000
     16       9.1389      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5672      1.00000
      3      -4.1887      1.00000
      4      -2.3412      1.00000
      5       0.0306      1.00000
      6       0.9845      1.00000
      7       1.9902      1.00000
      8       2.9948      0.99255
      9       3.5303     -0.01195
     10       5.1816     -0.00000
     11       5.9299     -0.00000
     12       7.3379     -0.00000
     13       7.9784     -0.00000
     14       8.6490      0.00000
     15       9.0994      0.00000
     16       9.1393      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8670      0.00000
     16       9.7142      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8637      0.00000
     16       9.7216      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8636      0.00000
     16       9.7262      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8637      0.00000
     16       9.7142      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0232     -0.00000
     15       8.8640      0.00000
     16       9.7134      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4657      1.00000
      3      -2.1060      1.00000
      4      -1.9131      1.00000
      5      -1.0263      1.00000
      6      -0.3661      1.00000
      7       0.6451      1.00000
      8       2.2871      1.00000
      9       2.6690      1.00152
     10       4.7506     -0.00000
     11       4.9064     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8636      0.00000
     16       9.7420      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2318     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3860     -0.00000
     15       8.7474      0.00000
     16      10.0618      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2318     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3860     -0.00000
     15       8.7475      0.00000
     16      10.0581      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4033      1.00000
      2      -7.4574      1.00000
      3      -6.0853      1.00000
      4      -4.2308      1.00000
      5      -1.7443      1.00000
      6       0.9066      1.00000
      7       3.9861     -0.00000
      8       6.0113     -0.00000
      9       6.4826     -0.00000
     10       7.2318     -0.00000
     11       7.3133     -0.00000
     12       7.5110     -0.00000
     13       7.5976     -0.00000
     14       8.3855     -0.00000
     15       8.7475      0.00000
     16      10.0616      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4148     -0.00000
     16       8.7517      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4158     -0.00000
     16       8.7527      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7638     -0.00000
     15       8.4138     -0.00000
     16       8.7547      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4132     -0.00000
     16       8.7533      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4154     -0.00000
     16       8.7517      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9883      1.00000
      3      -4.6102      1.00000
      4      -2.7559      1.00000
      5      -0.2975      1.00000
      6       2.1631      1.00000
      7       3.1195      0.65417
      8       4.1168     -0.00000
      9       5.0869     -0.00000
     10       5.3641     -0.00000
     11       5.9190     -0.00000
     12       6.4969     -0.00000
     13       7.0109     -0.00000
     14       7.7635     -0.00000
     15       8.4134     -0.00000
     16       8.7546      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4083     -0.00000
     15       7.5522     -0.00000
     16       8.8618      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5524     -0.00000
     16       8.8345      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5521     -0.00000
     16       8.8543      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5521     -0.00000
     16       8.8719      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4082     -0.00000
     15       7.5521     -0.00000
     16       8.8616      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0965      1.00000
      3      -2.7206      1.00000
      4      -0.9166      1.00000
      5      -0.0721      1.00000
      6       0.7378      1.00000
      7       1.7166      1.00000
      8       2.5985      1.00029
      9       4.0687     -0.00000
     10       4.2603     -0.00000
     11       4.8542     -0.00000
     12       5.7432     -0.00000
     13       6.6377     -0.00000
     14       7.4083     -0.00000
     15       7.5522     -0.00000
     16       8.8812      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2241      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7659     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.6923      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2241      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7659     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.6743      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7574      1.00000
      2      -2.7401      1.00000
      3      -1.8098      1.00000
      4      -1.7897      1.00000
      5      -0.6713      1.00000
      6      -0.2827      1.00000
      7       1.2241      1.00000
      8       1.9616      1.00000
      9       3.7889     -0.00004
     10       3.9059     -0.00000
     11       4.7165     -0.00000
     12       5.7659     -0.00000
     13       6.3938     -0.00000
     14       6.7644     -0.00000
     15       7.1325     -0.00000
     16       8.7206      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2650      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0993      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99458
      9       3.4618     -0.02652
     10       4.2351     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.7020      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2650      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0993      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99458
      9       3.4618     -0.02652
     10       4.2351     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.6970      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2650      1.00000
      2      -4.3073      1.00000
      3      -2.9287      1.00000
      4      -1.0993      1.00000
      5       1.1628      1.00000
      6       2.0839      1.00000
      7       2.2470      1.00000
      8       2.9928      0.99458
      9       3.4618     -0.02652
     10       4.2351     -0.00000
     11       4.4924     -0.00000
     12       4.8600     -0.00000
     13       6.1973     -0.00000
     14       6.8422     -0.00000
     15       7.2784     -0.00000
     16       8.7010      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41761
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2537     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41760
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2868     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41761
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2752     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41761
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.3270     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41760
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.2724     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1679      1.00000
      2      -2.2134      1.00000
      3      -0.8696      1.00000
      4      -0.6668      1.00000
      5       0.1962      1.00000
      6       0.8155      1.00000
      7       1.7408      1.00000
      8       1.8291      1.00000
      9       2.5721      1.00014
     10       3.1762      0.41760
     11       4.1395     -0.00000
     12       4.6647     -0.00000
     13       6.0528     -0.00000
     14       6.1489     -0.00000
     15       6.3724     -0.00000
     16       8.3177     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8855      1.00000
      3      -0.8582      1.00000
      4      -0.0174      1.00000
      5       0.0794      1.00000
      6       0.0821      1.00000
      7       1.1013      1.00000
      8       1.1015      1.00000
      9       1.7958      1.00000
     10       2.6648      1.00138
     11       4.0760     -0.00000
     12       4.0914     -0.00000
     13       5.9924     -0.00000
     14       6.0052     -0.00000
     15       6.0859     -0.00000
     16       8.0171     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.767  23.495   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.767  23.495   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.937 -61.922   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.922  33.073  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.069   0.000  -0.000  -0.321  -0.000   0.000
 -0.147   0.070   0.000   1.705   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.069   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.7947: real time    421.8695
    FORNL :  cpu time      0.4970: real time      0.5031
    FORCOR:  cpu time      1.9499: real time      1.9613
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.512E-05 -.937E-06 0.182E+03   0.402E-13 0.279E-13 -.181E+03   -.566E-05 0.149E-05 -.109E+01
   0.176E-05 0.242E-06 0.925E+02   0.854E-14 0.236E-14 -.924E+02   -.196E-05 -.730E-06 -.472E-01
   0.402E-05 0.442E-05 -.313E+00   -.149E-12 -.838E-13 0.300E+00   -.495E-05 -.534E-05 0.266E-01
   0.157E-05 0.130E-05 -.928E+02   0.132E-12 0.806E-13 0.927E+02   -.253E-05 -.176E-06 0.992E-01
   -.460E-06 -.404E-05 -.182E+03   -.412E-13 -.240E-13 0.181E+03   0.838E-06 0.405E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.125E-04 0.901E-06 0.121E-02   -.971E-14 0.313E-14 0.000E+00   -.143E-04 -.706E-06 -.121E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.042919
      0.00000      0.00000      2.36024        -0.000000     -0.000001      0.011878
      1.42873      0.82488      4.66770        -0.000001     -0.000001      0.012459
      2.85746      1.64976      6.98001        -0.000000      0.000001      0.011322
      0.00000      0.00000      9.35670         0.000001     -0.000000      0.007260
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000000     -0.000215


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90370804 eV

  energy  without entropy=      -13.89652478  energy(sigma->0) =      -13.90131362
 
 d Force = 0.1089110E-04[ 0.757E-05, 0.142E-04]  d Energy = 0.1488948E-04-0.400E-05
 d Force = 0.7036755E-01[ 0.704E-01, 0.704E-01]  d Ewald  = 0.7036755E-01 0.954E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9487: real time      1.9603


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.230E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.7790
 eigenvalue spectrum of G is  1.5633  5.9946


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0739
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9487: real time      1.9607
    EDDIAG:  cpu time    582.7729: real time    587.8264
    CHARGE:  cpu time      0.2660: real time      0.2683
 writing wavefunctions
     LOOP+:  cpu time   6275.3592: real time   6329.1891


--------------------------------------- Iteration      7(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7292
    SETDIJ:  cpu time      1.2324: real time      1.2378
    TRIAL :  cpu time    581.5218: real time    586.5846
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2663: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    583.7567: real time    588.8356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1666243E-03  (-0.1737735E-03)
 number of electron      15.0000000 magnetization      -0.0000140
 augmentation part       -0.0008526 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.26945422
  -exchange      EXHF   =        33.27915244
  -V(xc)+E(xc)   XCENC  =       -83.54486341
  PAW double counting   =    100989.07496391  -100888.11711814
  entropy T*S    EENTRO =        -0.00725679
  eigenvalues    EBANDS =       -35.13098953
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90354034 eV

  energy without entropy =      -13.89628355  energy(sigma->0) =      -13.90112141
  exchange ACFDT corr.  =        -0.00672759  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7278
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    580.9967: real time    586.0843
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    583.2206: real time    588.3221

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6618776E-04  (-0.1546148E-03)
 number of electron      15.0000000 magnetization      -0.0000138
 augmentation part       -0.0008523 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.20328356
  -exchange      EXHF   =        33.27861506
  -V(xc)+E(xc)   XCENC  =       -83.54505356
  PAW double counting   =    100988.56948091  -100887.61167800
  entropy T*S    EENTRO =        -0.00726108
  eigenvalues    EBANDS =       -35.19645190
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90360653 eV

  energy without entropy =      -13.89634545  energy(sigma->0) =      -13.90118617
  exchange ACFDT corr.  =        -0.00672608  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2301: real time      1.2358
    TRIAL :  cpu time    587.5882: real time    592.7014
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2663: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    589.8107: real time    594.9378

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9288323E-04  (-0.4825929E-04)
 number of electron      15.0000000 magnetization      -0.0000137
 augmentation part       -0.0008531 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.15834085
  -exchange      EXHF   =        33.27813756
  -V(xc)+E(xc)   XCENC  =       -83.54522494
  PAW double counting   =    100988.24394356  -100887.28610084
  entropy T*S    EENTRO =        -0.00726300
  eigenvalues    EBANDS =       -35.24087413
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90369941 eV

  energy without entropy =      -13.89643641  energy(sigma->0) =      -13.90127841
  exchange ACFDT corr.  =        -0.00672473  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7284
    SETDIJ:  cpu time      1.2309: real time      1.2365
    TRIAL :  cpu time    584.7489: real time    589.8244
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.9730: real time    592.0623

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3707902E-04  (-0.4058587E-04)
 number of electron      15.0000000 magnetization      -0.0000134
 augmentation part       -0.0008547 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.15009499
  -exchange      EXHF   =        33.27795553
  -V(xc)+E(xc)   XCENC  =       -83.54529649
  PAW double counting   =    100988.35454061  -100887.39673855
  entropy T*S    EENTRO =        -0.00726213
  eigenvalues    EBANDS =       -35.24886090
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90373649 eV

  energy without entropy =      -13.89647436  energy(sigma->0) =      -13.90131578
  exchange ACFDT corr.  =        -0.00672513  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7284
    SETDIJ:  cpu time      1.2312: real time      1.2367
    TRIAL :  cpu time    581.8609: real time    586.9319
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2654: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    584.0842: real time    589.1692

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2034001E-04  (-0.2314320E-04)
 number of electron      15.0000000 magnetization      -0.0000131
 augmentation part       -0.0008562 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.15696233
  -exchange      EXHF   =        33.27799555
  -V(xc)+E(xc)   XCENC  =       -83.54529021
  PAW double counting   =    100988.34262237  -100887.38482623
  entropy T*S    EENTRO =        -0.00725973
  eigenvalues    EBANDS =       -35.24205516
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90375683 eV

  energy without entropy =      -13.89649710  energy(sigma->0) =      -13.90133692
  exchange ACFDT corr.  =        -0.00672457  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7271
    SETDIJ:  cpu time      1.2310: real time      1.2368
    TRIAL :  cpu time    585.4563: real time    590.5281
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2662: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    587.6797: real time    592.7655

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1451511E-04  (-0.6676233E-05)
 number of electron      15.0000000 magnetization      -0.0000127
 augmentation part       -0.0008570 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.16542618
  -exchange      EXHF   =        33.27812187
  -V(xc)+E(xc)   XCENC  =       -83.54525077
  PAW double counting   =    100988.62418629  -100887.66638440
  entropy T*S    EENTRO =        -0.00725751
  eigenvalues    EBANDS =       -35.23377973
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377134 eV

  energy without entropy =      -13.89651384  energy(sigma->0) =      -13.90135218
  exchange ACFDT corr.  =        -0.00672378  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      7(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7285
    SETDIJ:  cpu time      1.2315: real time      1.2370
    TRIAL :  cpu time    581.8370: real time    586.9279
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    584.6239: real time    589.6850
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time   1168.6857: real time   1178.8520

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4959162E-05  (-0.6091017E-05)
 number of electron      15.0000000 magnetization      -0.0000124
 augmentation part       -0.0008567 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.23063706
  -Hartree energ DENC   =      -704.17227730
  -exchange      EXHF   =        33.27830386
  -V(xc)+E(xc)   XCENC  =       -83.54521205
  PAW double counting   =    100989.63061289  -100888.67282036
  entropy T*S    EENTRO =        -0.00725626
  eigenvalues    EBANDS =       -35.22708015
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377630 eV

  energy without entropy =      -13.89652004  energy(sigma->0) =      -13.90135755
  exchange ACFDT corr.  =        -0.00672307  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9501


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8869       2 -69.7622       3 -69.7596       4 -69.7754       5 -69.9047
 
 
 
 E-fermi :   3.1571     XC(G=0):  -5.1190     alpha+bet : -8.9779

 Fermi energy:         3.1571169136

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9046      1.00000
      2      -9.9657      1.00000
      3      -8.6078      1.00000
      4      -6.7718      1.00000
      5      -4.3152      1.00000
      6      -1.5821      1.00000
      7       1.6605      1.00000
      8       4.6301     -0.00000
      9       5.4041     -0.00000
     10       7.9258     -0.00000
     11       7.9912     -0.00000
     12      11.8891      0.00000
     13      12.1898      0.00000
     14      16.0498      0.00000
     15      16.1927      0.00000
     16      16.3634      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3721      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8818      0.00000
     16      14.3455      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3721      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8728      0.00000
     16      14.5146      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3721      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8736      0.00000
     16      14.3408      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5044      0.00000
     16      12.7677      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5082      0.00000
     16      12.8109      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5086      0.00000
     16      12.8830      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02920
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6024      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02920
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6110      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02920
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6406      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00952
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7261      0.00000
     15      10.5163      0.00000
     16      10.8302      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00952
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7262      0.00000
     15      10.5167      0.00000
     16      10.8307      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00952
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7261      0.00000
     15      10.5162      0.00000
     16      10.8297      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6376     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1947      0.00000
     15       9.7444      0.00000
     16      10.6289      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6376     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1941      0.00000
     15       9.7443      0.00000
     16      10.3959      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6376     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7442      0.00000
     16      10.4738      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8793      0.00000
     15      10.2282      0.00000
     16      10.5427      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8793      0.00000
     15      10.2483      0.00000
     16      10.5974      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8793      0.00000
     15      10.2206      0.00000
     16      10.5428      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2934      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4642     -0.00000
     12      11.4112      0.00000
     13      11.4304      0.00000
     14      11.9004      0.00000
     15      12.0426      0.00000
     16      12.6724      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2934      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4642     -0.00000
     12      11.4111      0.00000
     13      11.4348      0.00000
     14      11.9028      0.00000
     15      12.0400      0.00000
     16      12.6843      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2934      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4642     -0.00000
     12      11.4109      0.00000
     13      11.4286      0.00000
     14      11.9038      0.00000
     15      12.0438      0.00000
     16      12.6645      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1722      0.00000
     16      10.7356      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1719      0.00000
     16      10.7354      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1722      0.00000
     16      10.7358      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1721      0.00000
     16      10.7347      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1723      0.00000
     16      10.7365      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74628
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8478      0.00000
     15      10.1721      0.00000
     16      10.7342      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8829      0.00000
     15       9.6266      0.00000
     16      10.2043      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8837      0.00000
     15       9.6499      0.00000
     16      10.1050      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8877      0.00000
     15       9.6438      0.00000
     16      10.2713      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8952      0.00000
     15       9.6252      0.00000
     16      10.2664      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8824      0.00000
     15       9.6240      0.00000
     16      10.1488      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8161     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8920      0.00000
     15       9.9884      0.00000
     16      10.2414      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9928      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9787     -0.00000
     14       8.6487      0.00000
     15       9.0986      0.00000
     16       9.1420      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9928      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9789     -0.00000
     14       8.6476      0.00000
     15       9.0977      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9928      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6464      0.00000
     15       9.0973      0.00000
     16       9.1413      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9928      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9787     -0.00000
     14       8.6467      0.00000
     15       9.0973      0.00000
     16       9.1418      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9928      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6484      0.00000
     15       9.0974      0.00000
     16       9.1471      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1868      1.00000
      4      -2.3421      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99191
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6468      0.00000
     15       9.0987      0.00000
     16       9.1413      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8666      0.00000
     16       9.7177      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8663      0.00000
     16       9.7437      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8735      0.00000
     16       9.7729      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8662      0.00000
     16       9.7155      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8669      0.00000
     16       9.7107      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8680      0.00000
     16       9.7655      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3878     -0.00000
     15       8.7625      0.00000
     16      10.0593      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0616      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3873     -0.00000
     15       8.7486      0.00000
     16      10.0470      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4118     -0.00000
     16       8.7506      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4118     -0.00000
     16       8.7528      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4127     -0.00000
     16       8.7515      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4135     -0.00000
     16       8.7512      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7530      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65233
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4117     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4093     -0.00000
     15       7.5517     -0.00000
     16       8.8424      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8513      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5516     -0.00000
     16       8.8365      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5516     -0.00000
     16       8.8788      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8691      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8823      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.7986      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.7511      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.7432      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99189
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.6952      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99189
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.7091      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99189
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.7123      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41752
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2407     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41752
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.3012     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41750
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2550     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41751
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2618     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41751
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2514     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41752
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.4299     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8868      1.00000
      2      -0.8844      1.00000
      3      -0.8574      1.00000
      4      -0.0148      1.00000
      5       0.0828      1.00000
      6       0.0865      1.00000
      7       1.1020      1.00000
      8       1.1054      1.00000
      9       1.7969      1.00000
     10       2.6639      1.00135
     11       4.0783     -0.00000
     12       4.0871     -0.00000
     13       5.9927     -0.00000
     14       6.0033     -0.00000
     15       6.0861     -0.00000
     16       8.0163     -0.00000
 Fermi energy:         3.1571169136

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9046      1.00000
      2      -9.9657      1.00000
      3      -8.6078      1.00000
      4      -6.7718      1.00000
      5      -4.3152      1.00000
      6      -1.5821      1.00000
      7       1.6605      1.00000
      8       4.6301     -0.00000
      9       5.4041     -0.00000
     10       7.9258     -0.00000
     11       7.9912     -0.00000
     12      11.8891      0.00000
     13      12.1898      0.00000
     14      16.0578      0.00000
     15      16.3389      0.00000
     16      16.5253      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3722      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8721      0.00000
     16      14.3160      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3722      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8720      0.00000
     16      14.3117      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7566      1.00000
      3      -8.3977      1.00000
      4      -6.5600      1.00000
      5      -4.0993      1.00000
      6      -1.3722      1.00000
      7       1.8739      1.00000
      8       4.8131     -0.00000
      9       5.5784     -0.00000
     10       8.0937     -0.00000
     11       8.1562     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1109      0.00000
     15      13.8743      0.00000
     16      14.3310      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5140      0.00000
     16      12.8874      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5048      0.00000
     16      12.7682      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1293      1.00000
      3      -7.7672      1.00000
      4      -5.9249      1.00000
      5      -3.4530      1.00000
      6      -0.7436      1.00000
      7       2.4986      1.00002
      8       5.3450     -0.00000
      9       6.0962     -0.00000
     10       8.4764     -0.00000
     11       8.6269      0.00000
     12       9.7186      0.00000
     13      10.2896      0.00000
     14      11.3878      0.00000
     15      12.5090      0.00000
     16      12.8352      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02921
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6051      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02921
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6295      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0827      1.00000
      3      -6.7152      1.00000
      4      -4.8664      1.00000
      5      -2.3821      1.00000
      6       0.2929      1.00000
      7       3.4497     -0.02921
      8       5.6392     -0.00000
      9       6.5375     -0.00000
     10       6.8849     -0.00000
     11       7.0424     -0.00000
     12       8.0741     -0.00000
     13       9.3961      0.00000
     14       9.5756      0.00000
     15       9.8054      0.00000
     16      11.6142      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5665      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00953
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7262      0.00000
     15      10.5149      0.00000
     16      10.8307      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5665      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00953
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7261      0.00000
     15      10.5182      0.00000
     16      10.8331      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5665      1.00000
      2      -6.6144      1.00000
      3      -5.2402      1.00000
      4      -3.3882      1.00000
      5      -0.9176      1.00000
      6       1.5788      1.00000
      7       2.5314      1.00005
      8       3.5457     -0.00953
      9       4.8147     -0.00000
     10       5.1621     -0.00000
     11       6.5080     -0.00000
     12       7.6500     -0.00000
     13       8.2058     -0.00000
     14       8.7261      0.00000
     15      10.5183      0.00000
     16      10.8359      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6375     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1941      0.00000
     15       9.7442      0.00000
     16      10.4931      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6375     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7442      0.00000
     16      10.5492      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6814      1.00000
      2      -4.7220      1.00000
      3      -3.3469      1.00000
      4      -1.5351      1.00000
      5      -0.6878      1.00000
      6       0.1387      1.00000
      7       1.1272      1.00000
      8       2.0290      1.00000
      9       3.6375     -0.00176
     10       3.7439     -0.00013
     11       5.9471     -0.00000
     12       6.7368     -0.00000
     13       8.2403     -0.00000
     14       9.1941      0.00000
     15       9.7445      0.00000
     16      10.5503      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8794      0.00000
     15      10.3688      0.00000
     16      10.7379      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8793      0.00000
     15      10.2516      0.00000
     16      10.5527      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3652      1.00000
      3      -2.4197      1.00000
      4      -2.4184      1.00000
      5      -1.2831      1.00000
      6      -0.8936      1.00000
      7       0.6233      1.00000
      8       1.3681      1.00000
      9       3.3981     -0.03540
     10       3.5441     -0.00975
     11       5.6750     -0.00000
     12       6.0239     -0.00000
     13       8.4359     -0.00000
     14       8.8793      0.00000
     15      10.5309      0.00000
     16      10.5885      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2933      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4641     -0.00000
     12      11.4111      0.00000
     13      11.4290      0.00000
     14      11.9007      0.00000
     15      12.0451      0.00000
     16      12.6665      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2933      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4641     -0.00000
     12      11.4109      0.00000
     13      11.4285      0.00000
     14      11.9025      0.00000
     15      12.0506      0.00000
     16      12.6480      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2794      1.00000
      2      -9.3384      1.00000
      3      -7.9774      1.00000
      4      -6.1366      1.00000
      5      -3.6682      1.00000
      6      -0.9528      1.00000
      7       2.2933      1.00000
      8       5.1723     -0.00000
      9       5.9251     -0.00000
     10       8.4180     -0.00000
     11       8.4641     -0.00000
     12      11.4110      0.00000
     13      11.4279      0.00000
     14      11.8985      0.00000
     15      12.0717      0.00000
     16      12.7451      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1720      0.00000
     16      10.7348      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1727      0.00000
     16      10.7356      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1721      0.00000
     16      10.7344      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1719      0.00000
     16      10.7349      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1721      0.00000
     16      10.7340      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5015      1.00000
      3      -7.1362      1.00000
      4      -5.2898      1.00000
      5      -2.8091      1.00000
      6      -0.1186      1.00000
      7       3.0955      0.74635
      8       5.8244     -0.00000
      9       6.5931     -0.00000
     10       7.8417     -0.00000
     11       8.6095     -0.00000
     12       8.9982      0.00000
     13       9.4169      0.00000
     14       9.8477      0.00000
     15      10.1721      0.00000
     16      10.7341      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8822      0.00000
     15       9.6178      0.00000
     16      10.1135      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8885      0.00000
     15       9.6251      0.00000
     16      10.2056      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8857      0.00000
     15       9.6169      0.00000
     16      10.1831      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8893      0.00000
     15       9.6212      0.00000
     16      10.1882      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8825      0.00000
     15       9.6285      0.00000
     16      10.2747      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1936      1.00000
      2      -7.2443      1.00000
      3      -5.8727      1.00000
      4      -4.0206      1.00000
      5      -1.5355      1.00000
      6       1.0979      1.00000
      7       3.8160     -0.00002
      8       4.6906     -0.00000
      9       5.4290     -0.00000
     10       6.5170     -0.00000
     11       7.0849     -0.00000
     12       7.6894     -0.00000
     13       8.1686     -0.00000
     14       8.8812      0.00000
     15       9.6174      0.00000
     16      10.1773      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9787     -0.00000
     14       8.6477      0.00000
     15       9.0984      0.00000
     16       9.1456      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6478      0.00000
     15       9.0974      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9790     -0.00000
     14       8.6464      0.00000
     15       9.0974      0.00000
     16       9.1437      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9788     -0.00000
     14       8.6464      0.00000
     15       9.0978      0.00000
     16       9.1418      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9789     -0.00000
     14       8.6464      0.00000
     15       9.0974      0.00000
     16       9.1411      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5638      1.00000
      3      -4.1869      1.00000
      4      -2.3422      1.00000
      5       0.0302      1.00000
      6       0.9854      1.00000
      7       1.9927      1.00000
      8       2.9954      0.99192
      9       3.5318     -0.01170
     10       5.1808     -0.00000
     11       5.9293     -0.00000
     12       7.3376     -0.00000
     13       7.9787     -0.00000
     14       8.6471      0.00000
     15       9.0979      0.00000
     16       9.1414      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8684      0.00000
     16       9.7126      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8662      0.00000
     16       9.7194      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8662      0.00000
     16       9.7218      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8662      0.00000
     16       9.7126      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8663      0.00000
     16       9.7117      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4623      1.00000
      3      -2.1041      1.00000
      4      -1.9122      1.00000
      5      -1.0232      1.00000
      6      -0.3660      1.00000
      7       0.6461      1.00000
      8       2.2863      1.00000
      9       2.6683      1.00149
     10       4.7508     -0.00000
     11       4.9056     -0.00000
     12       7.0265     -0.00000
     13       7.4961     -0.00000
     14       8.0236     -0.00000
     15       8.8662      0.00000
     16       9.7368      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3875     -0.00000
     15       8.7486      0.00000
     16      10.0592      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3876     -0.00000
     15       8.7487      0.00000
     16      10.0544      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4541      1.00000
      3      -6.0835      1.00000
      4      -4.2318      1.00000
      5      -1.7449      1.00000
      6       0.9064      1.00000
      7       3.9855     -0.00000
      8       6.0115     -0.00000
      9       6.4834     -0.00000
     10       7.2332     -0.00000
     11       7.3132     -0.00000
     12       7.5140     -0.00000
     13       7.5968     -0.00000
     14       8.3873     -0.00000
     15       8.7487      0.00000
     16      10.0581      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4124     -0.00000
     16       8.7504      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4130     -0.00000
     16       8.7512      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7639     -0.00000
     15       8.4116     -0.00000
     16       8.7528      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4113     -0.00000
     16       8.7517      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4129     -0.00000
     16       8.7504      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9397      1.00000
      2      -5.9850      1.00000
      3      -4.6084      1.00000
      4      -2.7570      1.00000
      5      -0.2981      1.00000
      6       2.1633      1.00000
      7       3.1201      0.65236
      8       4.1198     -0.00000
      9       5.0873     -0.00000
     10       5.3658     -0.00000
     11       5.9201     -0.00000
     12       6.4987     -0.00000
     13       7.0111     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7528      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8605      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5518     -0.00000
     16       8.8318      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5516     -0.00000
     16       8.8529      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8684      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5516     -0.00000
     16       8.8585      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0537      1.00000
      2      -4.0931      1.00000
      3      -2.7187      1.00000
      4      -0.9174      1.00000
      5      -0.0714      1.00000
      6       0.7407      1.00000
      7       1.7172      1.00000
      8       2.5998      1.00030
      9       4.0688     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7455     -0.00000
     13       6.6382     -0.00000
     14       7.4092     -0.00000
     15       7.5517     -0.00000
     16       8.8803      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.6849      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.6713      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7393      1.00000
      3      -1.8068      1.00000
      4      -1.7858      1.00000
      5      -0.6691      1.00000
      6      -0.2811      1.00000
      7       1.2232      1.00000
      8       1.9606      1.00000
      9       3.7889     -0.00004
     10       3.9055     -0.00000
     11       4.7176     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7649     -0.00000
     15       7.1338     -0.00000
     16       8.7117      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99189
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.6999      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99190
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.6953      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2641      1.00000
      2      -4.3039      1.00000
      3      -2.9268      1.00000
      4      -1.1002      1.00000
      5       1.1626      1.00000
      6       2.0848      1.00000
      7       2.2481      1.00000
      8       2.9954      0.99189
      9       3.4649     -0.02582
     10       4.2368     -0.00000
     11       4.4931     -0.00000
     12       4.8612     -0.00000
     13       6.1964     -0.00000
     14       6.8413     -0.00000
     15       7.2776     -0.00000
     16       8.6991      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41755
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2516     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41755
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2810     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41755
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2704     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41755
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.3170     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41755
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.2681     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2100      1.00000
      3      -0.8677      1.00000
      4      -0.6659      1.00000
      5       0.1993      1.00000
      6       0.8158      1.00000
      7       1.7415      1.00000
      8       1.8301      1.00000
      9       2.5750      1.00015
     10       3.1764      0.41754
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0525     -0.00000
     14       6.1483     -0.00000
     15       6.3715     -0.00000
     16       8.3099     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8868      1.00000
      2      -0.8844      1.00000
      3      -0.8575      1.00000
      4      -0.0148      1.00000
      5       0.0828      1.00000
      6       0.0865      1.00000
      7       1.1020      1.00000
      8       1.1053      1.00000
      9       1.7968      1.00000
     10       2.6639      1.00135
     11       4.0782     -0.00000
     12       4.0871     -0.00000
     13       5.9927     -0.00000
     14       6.0033     -0.00000
     15       6.0860     -0.00000
     16       8.0166     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.928 -61.917   0.000  -0.151   0.000  -0.000  -0.011  -0.000
-61.917  33.070  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.151   0.072   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.3964: real time    421.4835
    FORNL :  cpu time      0.4985: real time      0.5045
    FORCOR:  cpu time      1.9581: real time      1.9697
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.128E-05 0.571E-06 0.182E+03   0.445E-13 0.296E-13 -.181E+03   -.145E-05 0.612E-06 -.108E+01
   0.677E-05 0.252E-05 0.925E+02   0.245E-14 0.379E-15 -.925E+02   -.806E-05 -.469E-05 -.630E-01
   -.564E-06 0.381E-05 -.292E+00   -.153E-12 -.853E-13 0.283E+00   0.102E-05 -.345E-05 0.261E-01
   0.352E-05 0.366E-05 -.928E+02   0.136E-12 0.810E-13 0.927E+02   -.479E-05 -.430E-05 0.101E+00
   -.448E-05 -.269E-05 -.182E+03   -.403E-13 -.224E-13 0.181E+03   0.495E-05 0.299E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.895E-05 0.948E-05 0.105E-01   -.971E-14 0.313E-14 -.284E-13   -.833E-05 -.884E-05 -.612E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.038116
      0.00000      0.00000      2.36267        -0.000001     -0.000002      0.003443
      1.42873      0.82488      4.66950         0.000001      0.000000      0.015710
      2.85746      1.64976      6.98157        -0.000001     -0.000000      0.016768
      0.00000      0.00000      9.35856         0.000001      0.000001      0.002196
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.003318


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90377630 eV

  energy  without entropy=      -13.89652004  energy(sigma->0) =      -13.90135755
 
 d Force = 0.7440680E-04[ 0.666E-04, 0.822E-04]  d Energy = 0.6826047E-04 0.615E-05
 d Force = 0.2549690E+00[ 0.255E+00, 0.255E+00]  d Ewald  = 0.2549690E+00-0.609E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9512: real time      1.9631


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.263E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.3549
 eigenvalue spectrum of G is  2.3549


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0524
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9551: real time      1.9672
    EDDIAG:  cpu time    584.4239: real time    589.4671
    CHARGE:  cpu time      0.2654: real time      0.2676
 writing wavefunctions
     LOOP+:  cpu time   5694.6925: real time   5743.7694


--------------------------------------- Iteration      8(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7273
    SETDIJ:  cpu time      1.2281: real time      1.2335
    TRIAL :  cpu time    582.1881: real time    587.1979
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2659: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    584.4172: real time    589.4416

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4058879E-03  (-0.1457957E-02)
 number of electron      15.0000000 magnetization      -0.0000104
 augmentation part       -0.0008517 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.21372779
  -exchange      EXHF   =        33.27883337
  -V(xc)+E(xc)   XCENC  =       -83.54501674
  PAW double counting   =    100992.09041420  -100891.13264985
  entropy T*S    EENTRO =        -0.00720077
  eigenvalues    EBANDS =       -35.31051649
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90336546 eV

  energy without entropy =      -13.89616469  energy(sigma->0) =      -13.90096520
  exchange ACFDT corr.  =        -0.00669428  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2361: real time      1.2416
    TRIAL :  cpu time    584.6773: real time    589.7001
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    586.9057: real time    591.9423

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1128581E-03  (-0.1167842E-02)
 number of electron      15.0000000 magnetization      -0.0000100
 augmentation part       -0.0008499 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.26567161
  -exchange      EXHF   =        33.27917417
  -V(xc)+E(xc)   XCENC  =       -83.54488857
  PAW double counting   =    100994.35541475  -100893.39765562
  entropy T*S    EENTRO =        -0.00719623
  eigenvalues    EBANDS =       -35.25892501
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90325260 eV

  energy without entropy =      -13.89605637  energy(sigma->0) =      -13.90085386
  exchange ACFDT corr.  =        -0.00669558  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2371: real time      1.2424
    TRIAL :  cpu time    588.2811: real time    593.3864
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    590.5114: real time    595.6302

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4567471E-03  ( 0.1478496E-04)
 number of electron      15.0000000 magnetization      -0.0000097
 augmentation part       -0.0008477 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.30917277
  -exchange      EXHF   =        33.27952474
  -V(xc)+E(xc)   XCENC  =       -83.54475961
  PAW double counting   =    100997.84728406  -100896.88953027
  entropy T*S    EENTRO =        -0.00719301
  eigenvalues    EBANDS =       -35.21635933
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370935 eV

  energy without entropy =      -13.89651634  energy(sigma->0) =      -13.90131168
  exchange ACFDT corr.  =        -0.00669602  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2451: real time      1.2505
    TRIAL :  cpu time    580.8087: real time    585.8475
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2666: real time      0.2688
    --------------------------------------------
      LOOP:  cpu time    583.0470: real time    588.0996

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2583391E-04  (-0.2507350E-03)
 number of electron      15.0000000 magnetization      -0.0000094
 augmentation part       -0.0008453 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.30816981
  -exchange      EXHF   =        33.27964786
  -V(xc)+E(xc)   XCENC  =       -83.54471159
  PAW double counting   =    101000.73707990  -100899.77931735
  entropy T*S    EENTRO =        -0.00719296
  eigenvalues    EBANDS =       -35.21751957
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368351 eV

  energy without entropy =      -13.89649055  energy(sigma->0) =      -13.90128586
  exchange ACFDT corr.  =        -0.00669494  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7277
    SETDIJ:  cpu time      1.2390: real time      1.2444
    TRIAL :  cpu time    584.4404: real time    589.5045
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    586.6711: real time    591.7492

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3696216E-05  (-0.1459232E-03)
 number of electron      15.0000000 magnetization      -0.0000091
 augmentation part       -0.0008433 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.29625746
  -exchange      EXHF   =        33.27962721
  -V(xc)+E(xc)   XCENC  =       -83.54471269
  PAW double counting   =    101003.25516702  -100902.29739076
  entropy T*S    EENTRO =        -0.00719363
  eigenvalues    EBANDS =       -35.22942762
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368721 eV

  energy without entropy =      -13.89649358  energy(sigma->0) =      -13.90128933
  exchange ACFDT corr.  =        -0.00669437  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7273
    SETDIJ:  cpu time      1.2440: real time      1.2493
    TRIAL :  cpu time    581.9281: real time    587.0154
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    584.1645: real time    589.2657

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6242908E-04  ( 0.3627140E-05)
 number of electron      15.0000000 magnetization      -0.0000089
 augmentation part       -0.0008415 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.29961079
  -exchange      EXHF   =        33.27959268
  -V(xc)+E(xc)   XCENC  =       -83.54472393
  PAW double counting   =    101005.84844717  -100904.89066620
  entropy T*S    EENTRO =        -0.00719476
  eigenvalues    EBANDS =       -35.22609500
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374964 eV

  energy without entropy =      -13.89655488  energy(sigma->0) =      -13.90135138
  exchange ACFDT corr.  =        -0.00669454  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7278
    SETDIJ:  cpu time      1.2420: real time      1.2479
    TRIAL :  cpu time    584.8988: real time    589.9490
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    587.1333: real time    592.1975

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8132425E-05  (-0.4004233E-04)
 number of electron      15.0000000 magnetization      -0.0000086
 augmentation part       -0.0008401 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.30017089
  -exchange      EXHF   =        33.27953433
  -V(xc)+E(xc)   XCENC  =       -83.54474339
  PAW double counting   =    101007.96250688  -100907.00471484
  entropy T*S    EENTRO =        -0.00719566
  eigenvalues    EBANDS =       -35.22545889
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374150 eV

  energy without entropy =      -13.89654584  energy(sigma->0) =      -13.90134295
  exchange ACFDT corr.  =        -0.00669476  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2423: real time      1.2478
    TRIAL :  cpu time    587.1788: real time    592.2345
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2660: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    589.4130: real time    594.4827

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2919012E-05  (-0.1761404E-04)
 number of electron      15.0000000 magnetization      -0.0000084
 augmentation part       -0.0008392 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.29273277
  -exchange      EXHF   =        33.27947369
  -V(xc)+E(xc)   XCENC  =       -83.54476366
  PAW double counting   =    101009.45312515  -100908.49533721
  entropy T*S    EENTRO =        -0.00719567
  eigenvalues    EBANDS =       -35.23281402
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374442 eV

  energy without entropy =      -13.89654875  energy(sigma->0) =      -13.90134587
  exchange ACFDT corr.  =        -0.00669453  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      8(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2426: real time      1.2482
    TRIAL :  cpu time    584.6849: real time    589.7861
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    585.8847: real time    590.9929
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time   1172.8046: real time   1183.0278

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8253148E-05  ( 0.2144773E-06)
 number of electron      15.0000000 magnetization      -0.0000081
 augmentation part       -0.0008386 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.35511581
  -Hartree energ DENC   =      -704.28867654
  -exchange      EXHF   =        33.27946393
  -V(xc)+E(xc)   XCENC  =       -83.54477180
  PAW double counting   =    101010.61620876  -100909.65842266
  entropy T*S    EENTRO =        -0.00719555
  eigenvalues    EBANDS =       -35.23684903
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90375268 eV

  energy without entropy =      -13.89655712  energy(sigma->0) =      -13.90135416
  exchange ACFDT corr.  =        -0.00669418  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9912


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8911       2 -69.7656       3 -69.7593       4 -69.7737       5 -69.9006
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1187     alpha+bet : -8.9779

 Fermi energy:         3.1568754923

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9049      1.00000
      2      -9.9680      1.00000
      3      -8.6089      1.00000
      4      -6.7710      1.00000
      5      -4.3150      1.00000
      6      -1.5821      1.00000
      7       1.6606      1.00000
      8       4.6315     -0.00000
      9       5.4051     -0.00000
     10       7.9262     -0.00000
     11       7.9923     -0.00000
     12      11.8898      0.00000
     13      12.1902      0.00000
     14      16.0487      0.00000
     15      16.1635      0.00000
     16      16.3075      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8752      0.00000
     16      14.3346      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8705      0.00000
     16      14.4733      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8709      0.00000
     16      14.3313      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5047      0.00000
     16      12.7675      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5081      0.00000
     16      12.8076      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5087      0.00000
     16      12.8751      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6023      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6098      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6351      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6167      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5313      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5161      0.00000
     16      10.8301      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6167      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5313      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5163      0.00000
     16      10.8304      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6167      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5313      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5160      0.00000
     16      10.8298      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1955      0.00000
     15       9.7453      0.00000
     16      10.6199      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1952      0.00000
     15       9.7453      0.00000
     16      10.3930      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1952      0.00000
     15       9.7452      0.00000
     16      10.4561      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.2223      0.00000
     16      10.5403      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.2359      0.00000
     16      10.5778      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.2190      0.00000
     16      10.5392      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4111      0.00000
     13      11.4289      0.00000
     14      11.8981      0.00000
     15      12.0394      0.00000
     16      12.6680      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4111      0.00000
     13      11.4315      0.00000
     14      11.9000      0.00000
     15      12.0379      0.00000
     16      12.6756      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4110      0.00000
     13      11.4276      0.00000
     14      11.9003      0.00000
     15      12.0409      0.00000
     16      12.6623      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7330      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1717      0.00000
     16      10.7328      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1719      0.00000
     16      10.7331      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7324      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1719      0.00000
     16      10.7336      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74568
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7321      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8821      0.00000
     15       9.6202      0.00000
     16      10.1974      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8821      0.00000
     15       9.6295      0.00000
     16      10.0914      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8848      0.00000
     15       9.6331      0.00000
     16      10.2691      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8893      0.00000
     15       9.6205      0.00000
     16      10.2638      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8817      0.00000
     15       9.6182      0.00000
     16      10.1325      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8886      0.00000
     15       9.9659      0.00000
     16      10.2330      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6485      0.00000
     15       9.0990      0.00000
     16       9.1398      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6479      0.00000
     15       9.0984      0.00000
     16       9.1402      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6472      0.00000
     15       9.0981      0.00000
     16       9.1395      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6474      0.00000
     15       9.0981      0.00000
     16       9.1397      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6484      0.00000
     15       9.0982      0.00000
     16       9.1420      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6475      0.00000
     15       9.0992      0.00000
     16       9.1395      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8644      0.00000
     16       9.7160      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7381      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8691      0.00000
     16       9.7529      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7121      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8646      0.00000
     16       9.7091      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8652      0.00000
     16       9.7523      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7533      0.00000
     16      10.0569      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7480      0.00000
     16      10.0614      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3859     -0.00000
     15       8.7478      0.00000
     16      10.0473      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4127     -0.00000
     16       8.7514      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4126     -0.00000
     16       8.7531      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4133     -0.00000
     16       8.7521      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4138     -0.00000
     16       8.7518      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4124     -0.00000
     16       8.7532      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65256
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4125     -0.00000
     16       8.7511      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8422      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8512      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8368      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8784      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8691      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8800      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7887     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.7765      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7887     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.7383      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7887     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.7316      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.6950      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.7073      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.7107      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41711
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2399     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41712
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2919     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41711
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2519     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41711
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2571     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41712
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2487     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41711
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.4279     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8842      1.00000
      3      -0.8576      1.00000
      4      -0.0165      1.00000
      5       0.0793      1.00000
      6       0.0844      1.00000
      7       1.0998      1.00000
      8       1.1047      1.00000
      9       1.7961      1.00000
     10       2.6646      1.00138
     11       4.0804     -0.00000
     12       4.0866     -0.00000
     13       5.9931     -0.00000
     14       6.0036     -0.00000
     15       6.0858     -0.00000
     16       8.0164     -0.00000
 Fermi energy:         3.1568754923

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9049      1.00000
      2      -9.9680      1.00000
      3      -8.6089      1.00000
      4      -6.7710      1.00000
      5      -4.3150      1.00000
      6      -1.5821      1.00000
      7       1.6606      1.00000
      8       4.6315     -0.00000
      9       5.4051     -0.00000
     10       7.9262     -0.00000
     11       7.9923     -0.00000
     12      11.8898      0.00000
     13      12.1902      0.00000
     14      16.0550      0.00000
     15      16.3015      0.00000
     16      16.4476      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8702      0.00000
     16      14.3134      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8701      0.00000
     16      14.3105      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6965      1.00000
      2      -9.7589      1.00000
      3      -8.3988      1.00000
      4      -6.5593      1.00000
      5      -4.0991      1.00000
      6      -1.3721      1.00000
      7       1.8740      1.00000
      8       4.8145     -0.00000
      9       5.5794     -0.00000
     10       8.0940     -0.00000
     11       8.1572     -0.00000
     12      12.0182      0.00000
     13      12.2838      0.00000
     14      13.1105      0.00000
     15      13.8714      0.00000
     16      14.3242      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5134      0.00000
     16      12.8730      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5052      0.00000
     16      12.7680      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0713      1.00000
      2      -9.1316      1.00000
      3      -7.7683      1.00000
      4      -5.9241      1.00000
      5      -3.4528      1.00000
      6      -0.7436      1.00000
      7       2.4987      1.00002
      8       5.3463     -0.00000
      9       6.0972     -0.00000
     10       8.4769     -0.00000
     11       8.6276      0.00000
     12       9.7185      0.00000
     13      10.2876      0.00000
     14      11.3866      0.00000
     15      12.5089      0.00000
     16      12.8306      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6047      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6272      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0850      1.00000
      3      -6.7164      1.00000
      4      -4.8656      1.00000
      5      -2.3819      1.00000
      6       0.2929      1.00000
      7       3.4498     -0.02917
      8       5.6392     -0.00000
      9       6.5382     -0.00000
     10       6.8831     -0.00000
     11       7.0434     -0.00000
     12       8.0731     -0.00000
     13       9.3968      0.00000
     14       9.5763      0.00000
     15       9.8059      0.00000
     16      11.6131      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6168      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5312      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5150      0.00000
     16      10.8305      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6168      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5312      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5177      0.00000
     16      10.8330      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6168      1.00000
      3      -5.2414      1.00000
      4      -3.3875      1.00000
      5      -0.9174      1.00000
      6       1.5787      1.00000
      7       2.5312      1.00005
      8       3.5436     -0.00980
      9       4.8135     -0.00000
     10       5.1622     -0.00000
     11       6.5088     -0.00000
     12       7.6513     -0.00000
     13       8.2068     -0.00000
     14       8.7263      0.00000
     15      10.5175      0.00000
     16      10.8351      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1952      0.00000
     15       9.7451      0.00000
     16      10.4732      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1952      0.00000
     15       9.7452      0.00000
     16      10.5309      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6816      1.00000
      2      -4.7244      1.00000
      3      -3.3481      1.00000
      4      -1.5344      1.00000
      5      -0.6879      1.00000
      6       0.1367      1.00000
      7       1.1267      1.00000
      8       2.0281      1.00000
      9       3.6382     -0.00173
     10       3.7441     -0.00013
     11       5.9473     -0.00000
     12       6.7369     -0.00000
     13       8.2404     -0.00000
     14       9.1952      0.00000
     15       9.7454      0.00000
     16      10.5309      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.3187      0.00000
     16      10.6863      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.2366      0.00000
     16      10.5460      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3823      1.00000
      2      -3.3654      1.00000
      3      -2.4225      1.00000
      4      -2.4204      1.00000
      5      -1.2845      1.00000
      6      -0.8947      1.00000
      7       0.6240      1.00000
      8       1.3689      1.00000
      9       3.3984     -0.03541
     10       3.5442     -0.00973
     11       5.6752     -0.00000
     12       6.0238     -0.00000
     13       8.4360     -0.00000
     14       8.8795      0.00000
     15      10.3828      0.00000
     16      10.4863      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4111      0.00000
     13      11.4280      0.00000
     14      11.8984      0.00000
     15      12.0416      0.00000
     16      12.6617      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4110      0.00000
     13      11.4275      0.00000
     14      11.8997      0.00000
     15      12.0452      0.00000
     16      12.6450      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2797      1.00000
      2      -9.3408      1.00000
      3      -7.9786      1.00000
      4      -6.1359      1.00000
      5      -3.6680      1.00000
      6      -0.9528      1.00000
      7       2.2935      1.00000
      8       5.1737     -0.00000
      9       5.9261     -0.00000
     10       8.4183     -0.00000
     11       8.4651     -0.00000
     12      11.4110      0.00000
     13      11.4274      0.00000
     14      11.8968      0.00000
     15      12.0633      0.00000
     16      12.7392      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7324      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1721      0.00000
     16      10.7331      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7322      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1717      0.00000
     16      10.7324      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7320      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5039      1.00000
      3      -7.1374      1.00000
      4      -5.2890      1.00000
      5      -2.8090      1.00000
      6      -0.1186      1.00000
      7       3.0956      0.74572
      8       5.8256     -0.00000
      9       6.5941     -0.00000
     10       7.8418     -0.00000
     11       8.6074     -0.00000
     12       8.9987      0.00000
     13       9.4175      0.00000
     14       9.8465      0.00000
     15      10.1718      0.00000
     16      10.7320      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8816      0.00000
     15       9.6153      0.00000
     16      10.0981      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8850      0.00000
     15       9.6195      0.00000
     16      10.1972      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8828      0.00000
     15       9.6149      0.00000
     16      10.1712      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8853      0.00000
     15       9.6171      0.00000
     16      10.1770      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8819      0.00000
     15       9.6230      0.00000
     16      10.2740      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2466      1.00000
      3      -5.8739      1.00000
      4      -4.0198      1.00000
      5      -1.5353      1.00000
      6       1.0978      1.00000
      7       3.8160     -0.00002
      8       4.6901     -0.00000
      9       5.4270     -0.00000
     10       6.5161     -0.00000
     11       7.0860     -0.00000
     12       7.6903     -0.00000
     13       8.1691     -0.00000
     14       8.8812      0.00000
     15       9.6151      0.00000
     16      10.1710      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6480      0.00000
     15       9.0990      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6480      0.00000
     15       9.0982      0.00000
     16       9.1400      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9787     -0.00000
     14       8.6472      0.00000
     15       9.0982      0.00000
     16       9.1407      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6472      0.00000
     15       9.0985      0.00000
     16       9.1397      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6472      0.00000
     15       9.0982      0.00000
     16       9.1394      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5206      1.00000
      2      -5.5662      1.00000
      3      -4.1881      1.00000
      4      -2.3414      1.00000
      5       0.0303      1.00000
      6       0.9851      1.00000
      7       1.9909      1.00000
      8       2.9949      0.99236
      9       3.5308     -0.01187
     10       5.1815     -0.00000
     11       5.9295     -0.00000
     12       7.3377     -0.00000
     13       7.9786     -0.00000
     14       8.6476      0.00000
     15       9.0985      0.00000
     16       9.1395      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8655      0.00000
     16       9.7098      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7174      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7188      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7112      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7096      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4230      1.00000
      2      -3.4647      1.00000
      3      -2.1053      1.00000
      4      -1.9125      1.00000
      5      -1.0253      1.00000
      6      -0.3660      1.00000
      7       0.6455      1.00000
      8       2.2868      1.00000
      9       2.6687      1.00151
     10       4.7505     -0.00000
     11       4.9061     -0.00000
     12       7.0264     -0.00000
     13       7.4960     -0.00000
     14       8.0233     -0.00000
     15       8.8643      0.00000
     16       9.7322      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3861     -0.00000
     15       8.7478      0.00000
     16      10.0586      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3861     -0.00000
     15       8.7478      0.00000
     16      10.0524      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4565      1.00000
      3      -6.0847      1.00000
      4      -4.2310      1.00000
      5      -1.7448      1.00000
      6       0.9064      1.00000
      7       3.9856     -0.00000
      8       6.0115     -0.00000
      9       6.4830     -0.00000
     10       7.2323     -0.00000
     11       7.3134     -0.00000
     12       7.5118     -0.00000
     13       7.5975     -0.00000
     14       8.3859     -0.00000
     15       8.7478      0.00000
     16      10.0571      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65259
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4131     -0.00000
     16       8.7512      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65258
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4134     -0.00000
     16       8.7519      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65258
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4124     -0.00000
     16       8.7531      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65258
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4123     -0.00000
     16       8.7523      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65258
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4135     -0.00000
     16       8.7512      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9873      1.00000
      3      -4.6096      1.00000
      4      -2.7562      1.00000
      5      -0.2979      1.00000
      6       2.1631      1.00000
      7       3.1199      0.65258
      8       4.1177     -0.00000
      9       5.0871     -0.00000
     10       5.3647     -0.00000
     11       5.9193     -0.00000
     12       6.4974     -0.00000
     13       7.0110     -0.00000
     14       7.7636     -0.00000
     15       8.4124     -0.00000
     16       8.7531      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5518     -0.00000
     16       8.8593      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5518     -0.00000
     16       8.8309      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8521      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8658      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8572      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0540      1.00000
      2      -4.0955      1.00000
      3      -2.7200      1.00000
      4      -0.9168      1.00000
      5      -0.0715      1.00000
      6       0.7387      1.00000
      7       1.7166      1.00000
      8       2.5989      1.00029
      9       4.0687     -0.00000
     10       4.2602     -0.00000
     11       4.8546     -0.00000
     12       5.7438     -0.00000
     13       6.6377     -0.00000
     14       7.4085     -0.00000
     15       7.5517     -0.00000
     16       8.8801      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7887     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.6791      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7886     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.6700      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7568      1.00000
      2      -2.7395      1.00000
      3      -1.8088      1.00000
      4      -1.7886      1.00000
      5      -0.6705      1.00000
      6      -0.2821      1.00000
      7       1.2239      1.00000
      8       1.9613      1.00000
      9       3.7887     -0.00004
     10       3.9058     -0.00000
     11       4.7170     -0.00000
     12       5.7664     -0.00000
     13       6.3936     -0.00000
     14       6.7644     -0.00000
     15       7.1330     -0.00000
     16       8.7033      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.6992      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.6952      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2644      1.00000
      2      -4.3063      1.00000
      3      -2.9280      1.00000
      4      -1.0994      1.00000
      5       1.1626      1.00000
      6       2.0845      1.00000
      7       2.2476      1.00000
      8       2.9937      0.99358
      9       3.4626     -0.02630
     10       4.2357     -0.00000
     11       4.4927     -0.00000
     12       4.8604     -0.00000
     13       6.1971     -0.00000
     14       6.8420     -0.00000
     15       7.2779     -0.00000
     16       8.6986      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7412      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2489     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7412      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2739     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2647     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.3051     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7413      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2628     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1673      1.00000
      2      -2.2124      1.00000
      3      -0.8689      1.00000
      4      -0.6662      1.00000
      5       0.1972      1.00000
      6       0.8157      1.00000
      7       1.7412      1.00000
      8       1.8295      1.00000
      9       2.5729      1.00015
     10       3.1764      0.41714
     11       4.1394     -0.00000
     12       4.6649     -0.00000
     13       6.0526     -0.00000
     14       6.1487     -0.00000
     15       6.3720     -0.00000
     16       8.2999     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8842      1.00000
      3      -0.8576      1.00000
      4      -0.0165      1.00000
      5       0.0793      1.00000
      6       0.0844      1.00000
      7       1.0998      1.00000
      8       1.1047      1.00000
      9       1.7961      1.00000
     10       2.6646      1.00138
     11       4.0804     -0.00000
     12       4.0866     -0.00000
     13       5.9931     -0.00000
     14       6.0036     -0.00000
     15       6.0858     -0.00000
     16       8.0169     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.954 -61.931   0.000  -0.148  -0.000  -0.000  -0.012   0.000
-61.931  33.078  -0.000   0.070   0.000   0.000   0.008  -0.000
  0.000  -0.000   2.069  -0.000  -0.000  -0.321   0.000   0.000
 -0.148   0.070  -0.000   1.704   0.000   0.000  -0.261  -0.000
 -0.000   0.000  -0.000   0.000   2.069   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.9504: real time    423.0538
    FORNL :  cpu time      0.4976: real time      0.5036
    FORCOR:  cpu time      1.9634: real time      1.9752
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.279E-05 -.130E-05 0.182E+03   0.383E-13 0.230E-13 -.181E+03   0.358E-05 0.639E-06 -.109E+01
   0.429E-07 0.363E-05 0.925E+02   0.106E-13 0.735E-14 -.924E+02   -.488E-06 -.380E-05 -.513E-01
   -.107E-07 0.100E-05 -.306E+00   -.154E-12 -.863E-13 0.282E+00   0.196E-06 -.156E-05 0.262E-01
   0.460E-07 0.158E-05 -.928E+02   0.137E-12 0.841E-13 0.927E+02   0.140E-06 -.225E-05 0.998E-01
   -.187E-05 -.958E-06 -.182E+03   -.417E-13 -.250E-13 0.181E+03   0.234E-05 0.102E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.363E-05 0.494E-05 -.254E-01   -.971E-14 0.313E-14 0.000E+00   0.577E-05 -.596E-05 0.433E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.036108
      0.00000      0.00000      2.36133        -0.000001      0.000000      0.005972
      1.42873      0.82488      4.66880        -0.000000     -0.000000      0.005525
      2.85746      1.64976      6.98102         0.000001      0.000000      0.009135
      0.00000      0.00000      9.35746        -0.000000      0.000000      0.015477
 -----------------------------------------------------------------------------------
    total drift:                                0.000002     -0.000001     -0.020681


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90375268 eV

  energy  without entropy=      -13.89655712  energy(sigma->0) =      -13.90135416
 
 d Force =-0.3043393E-04[-0.338E-04,-0.271E-04]  d Energy =-0.2362706E-04-0.681E-05
 d Force =-0.1244788E+00[-0.125E+00,-0.124E+00]  d Ewald  =-0.1244788E+00 0.980E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9627: real time      1.9747


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.188E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.7697
 eigenvalue spectrum of G is  0.4111  5.1284


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0059: real time      0.0733
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0849: real time      0.0853
    POTLOK:  cpu time      1.9656: real time      1.9779
    EDDIAG:  cpu time    584.1875: real time    589.2577
    CHARGE:  cpu time      0.2651: real time      0.2673
 writing wavefunctions
     LOOP+:  cpu time   6876.9003: real time   6936.1492


--------------------------------------- Iteration      9(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7285
    SETDIJ:  cpu time      1.2303: real time      1.2357
    TRIAL :  cpu time    585.5740: real time    590.6744
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    587.8067: real time    592.9218

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1181602E-02  (-0.5133398E-02)
 number of electron      15.0000000 magnetization      -0.0000068
 augmentation part       -0.0008464 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.15857891
  -exchange      EXHF   =        33.27860383
  -V(xc)+E(xc)   XCENC  =       -83.54503333
  PAW double counting   =    101005.92335137  -100904.96552635
  entropy T*S    EENTRO =        -0.00721358
  eigenvalues    EBANDS =       -35.13335876
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90256282 eV

  energy without entropy =      -13.89534924  energy(sigma->0) =      -13.90015829
  exchange ACFDT corr.  =        -0.00669324  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7271
    SETDIJ:  cpu time      1.2333: real time      1.2390
    TRIAL :  cpu time    585.9329: real time    591.0608
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2665: real time      0.2688
    --------------------------------------------
      LOOP:  cpu time    588.1583: real time    593.3003

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4776050E-03  (-0.4158303E-02)
 number of electron      15.0000000 magnetization      -0.0000067
 augmentation part       -0.0008476 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.08529746
  -exchange      EXHF   =        33.27821562
  -V(xc)+E(xc)   XCENC  =       -83.54517594
  PAW double counting   =    101004.56371464  -100903.60588307
  entropy T*S    EENTRO =        -0.00721789
  eigenvalues    EBANDS =       -35.20564096
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90208522 eV

  energy without entropy =      -13.89486733  energy(sigma->0) =      -13.89967925
  exchange ACFDT corr.  =        -0.00668941  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7280
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    584.1272: real time    589.2374
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2669: real time      0.2691
    --------------------------------------------
      LOOP:  cpu time    586.3522: real time    591.4764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1586155E-02  ( 0.7374143E-04)
 number of electron      15.0000000 magnetization      -0.0000066
 augmentation part       -0.0008494 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.02890214
  -exchange      EXHF   =        33.27781480
  -V(xc)+E(xc)   XCENC  =       -83.54531777
  PAW double counting   =    101001.92779054  -100900.96993943
  entropy T*S    EENTRO =        -0.00721897
  eigenvalues    EBANDS =       -35.26309500
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367137 eV

  energy without entropy =      -13.89645240  energy(sigma->0) =      -13.90126505
  exchange ACFDT corr.  =        -0.00668784  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7277
    SETDIJ:  cpu time      1.2294: real time      1.2348
    TRIAL :  cpu time    580.6154: real time    585.7163
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2660: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    582.8369: real time    587.9518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9939508E-04  (-0.8611106E-03)
 number of electron      15.0000000 magnetization      -0.0000064
 augmentation part       -0.0008511 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.04985884
  -exchange      EXHF   =        33.27774065
  -V(xc)+E(xc)   XCENC  =       -83.54534446
  PAW double counting   =    101000.57497745  -100899.61712303
  entropy T*S    EENTRO =        -0.00721788
  eigenvalues    EBANDS =       -35.24194029
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90357198 eV

  energy without entropy =      -13.89635409  energy(sigma->0) =      -13.90116602
  exchange ACFDT corr.  =        -0.00668778  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2328: real time      1.2382
    TRIAL :  cpu time    581.3232: real time    586.4196
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    583.5487: real time    588.6587

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6022223E-05  (-0.5232673E-03)
 number of electron      15.0000000 magnetization      -0.0000062
 augmentation part       -0.0008521 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.07550082
  -exchange      EXHF   =        33.27780007
  -V(xc)+E(xc)   XCENC  =       -83.54532807
  PAW double counting   =    101000.16916157  -100899.21134114
  entropy T*S    EENTRO =        -0.00721661
  eigenvalues    EBANDS =       -35.21633520
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90356595 eV

  energy without entropy =      -13.89634934  energy(sigma->0) =      -13.90116042
  exchange ACFDT corr.  =        -0.00668741  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2293: real time      1.2350
    TRIAL :  cpu time    582.8279: real time    587.9344
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    585.0495: real time    590.1702

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2195679E-03  ( 0.1591847E-04)
 number of electron      15.0000000 magnetization      -0.0000060
 augmentation part       -0.0008524 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.06280139
  -exchange      EXHF   =        33.27779470
  -V(xc)+E(xc)   XCENC  =       -83.54532962
  PAW double counting   =    100999.71464518  -100898.75682244
  entropy T*S    EENTRO =        -0.00721473
  eigenvalues    EBANDS =       -35.22925085
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90378552 eV

  energy without entropy =      -13.89657079  energy(sigma->0) =      -13.90138061
  exchange ACFDT corr.  =        -0.00668580  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2290: real time      1.2348
    TRIAL :  cpu time    582.4501: real time    587.5010
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    584.6702: real time    589.7352

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2952710E-04  (-0.1404083E-03)
 number of electron      15.0000000 magnetization      -0.0000058
 augmentation part       -0.0008522 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.05457844
  -exchange      EXHF   =        33.27781525
  -V(xc)+E(xc)   XCENC  =       -83.54532200
  PAW double counting   =    101000.18075882  -100899.22292576
  entropy T*S    EENTRO =        -0.00721350
  eigenvalues    EBANDS =       -35.23748466
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90375599 eV

  energy without entropy =      -13.89654249  energy(sigma->0) =      -13.90135149
  exchange ACFDT corr.  =        -0.00668429  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2310: real time      1.2365
    TRIAL :  cpu time    581.3858: real time    586.5021
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    583.6091: real time    588.7392

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9276890E-05  (-0.6243938E-04)
 number of electron      15.0000000 magnetization      -0.0000056
 augmentation part       -0.0008516 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.06393363
  -exchange      EXHF   =        33.27787285
  -V(xc)+E(xc)   XCENC  =       -83.54530193
  PAW double counting   =    101001.44467829  -100900.48684672
  entropy T*S    EENTRO =        -0.00721326
  eigenvalues    EBANDS =       -35.22821615
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376527 eV

  energy without entropy =      -13.89655202  energy(sigma->0) =      -13.90136085
  exchange ACFDT corr.  =        -0.00668376  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7275
    SETDIJ:  cpu time      1.2314: real time      1.2366
    TRIAL :  cpu time    581.8918: real time    586.9710
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    584.1151: real time    589.2082

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2903397E-04  ( 0.1283765E-05)
 number of electron      15.0000000 magnetization      -0.0000054
 augmentation part       -0.0008508 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.07023191
  -exchange      EXHF   =        33.27789353
  -V(xc)+E(xc)   XCENC  =       -83.54529175
  PAW double counting   =    101002.72090838  -100901.76305925
  entropy T*S    EENTRO =        -0.00721288
  eigenvalues    EBANDS =       -35.22199558
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379431 eV

  energy without entropy =      -13.89658143  energy(sigma->0) =      -13.90139001
  exchange ACFDT corr.  =        -0.00668335  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2314: real time      1.2372
    TRIAL :  cpu time    584.6030: real time    589.7008
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    586.8276: real time    591.9394

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5711001E-05  (-0.2232432E-04)
 number of electron      15.0000000 magnetization      -0.0000052
 augmentation part       -0.0008501 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.06913569
  -exchange      EXHF   =        33.27788016
  -V(xc)+E(xc)   XCENC  =       -83.54529478
  PAW double counting   =    101004.09926125  -100903.14141026
  entropy T*S    EENTRO =        -0.00721230
  eigenvalues    EBANDS =       -35.22307191
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90378859 eV

  energy without entropy =      -13.89657630  energy(sigma->0) =      -13.90138450
  exchange ACFDT corr.  =        -0.00668273  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration      9(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2314: real time      1.2373
    TRIAL :  cpu time    584.9517: real time    590.0634
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    583.7548: real time    588.8130
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time   1170.9304: real time   1181.1145

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2905683E-05  (-0.7280851E-05)
 number of electron      15.0000000 magnetization      -0.0000051
 augmentation part       -0.0008493 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12381128
  -Hartree energ DENC   =      -704.06544903
  -exchange      EXHF   =        33.27784147
  -V(xc)+E(xc)   XCENC  =       -83.54530224
  PAW double counting   =    101005.44287593  -100904.48502305
  entropy T*S    EENTRO =        -0.00721195
  eigenvalues    EBANDS =       -35.22673452
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379150 eV

  energy without entropy =      -13.89657955  energy(sigma->0) =      -13.90138752
  exchange ACFDT corr.  =        -0.00668189  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0345


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8792       2 -69.7565       3 -69.7594       4 -69.7819       5 -69.9123
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1190     alpha+bet : -8.9779

 Fermi energy:         3.1568870535

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9663      1.00000
      3      -8.6081      1.00000
      4      -6.7714      1.00000
      5      -4.3156      1.00000
      6      -1.5823      1.00000
      7       1.6594      1.00000
      8       4.6301     -0.00000
      9       5.4044     -0.00000
     10       7.9258     -0.00000
     11       7.9913     -0.00000
     12      11.8894      0.00000
     13      12.1895      0.00000
     14      16.0486      0.00000
     15      16.1363      0.00000
     16      16.2502      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8745      0.00000
     16      14.3260      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.4265      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8722      0.00000
     16      14.3235      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2890      0.00000
     14      11.3875      0.00000
     15      12.5040      0.00000
     16      12.7665      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2890      0.00000
     14      11.3875      0.00000
     15      12.5068      0.00000
     16      12.8028      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2891      0.00000
     14      11.3875      0.00000
     15      12.5075      0.00000
     16      12.8664      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6019      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6084      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6300      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5152      0.00000
     16      10.8285      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5152      0.00000
     16      10.8283      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5151      0.00000
     16      10.8283      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1943      0.00000
     15       9.7446      0.00000
     16      10.6031      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7446      0.00000
     16      10.3920      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7445      0.00000
     16      10.4371      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2210      0.00000
     16      10.5380      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2234      0.00000
     16      10.5553      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2193      0.00000
     16      10.5374      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4120      0.00000
     13      11.4291      0.00000
     14      11.8980      0.00000
     15      12.0405      0.00000
     16      12.6627      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4121      0.00000
     13      11.4300      0.00000
     14      11.8996      0.00000
     15      12.0393      0.00000
     16      12.6619      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4120      0.00000
     13      11.4284      0.00000
     14      11.8998      0.00000
     15      12.0408      0.00000
     16      12.6571      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7336      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7339      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7338      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7336      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7340      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74959
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7334      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8825      0.00000
     15       9.6186      0.00000
     16      10.1863      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8824      0.00000
     15       9.6202      0.00000
     16      10.0790      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8841      0.00000
     15       9.6251      0.00000
     16      10.2657      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8865      0.00000
     15       9.6193      0.00000
     16      10.2600      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8822      0.00000
     15       9.6174      0.00000
     16      10.1151      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8874      0.00000
     15       9.9229      0.00000
     16      10.2228      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99212
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6472      0.00000
     15       9.0981      0.00000
     16       9.1405      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99212
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6469      0.00000
     15       9.0978      0.00000
     16       9.1407      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99212
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6466      0.00000
     15       9.0976      0.00000
     16       9.1405      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99212
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6467      0.00000
     15       9.0976      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99212
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6471      0.00000
     15       9.0976      0.00000
     16       9.1413      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6467      0.00000
     15       9.0982      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8655      0.00000
     16       9.7139      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8655      0.00000
     16       9.7300      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8673      0.00000
     16       9.7342      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8654      0.00000
     16       9.7098      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8656      0.00000
     16       9.7080      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9112      1.00000
      5      -1.0237      1.00000
      6      -0.3657      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8658      0.00000
     16       9.7387      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7500      0.00000
     16      10.0532      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7486      0.00000
     16      10.0601      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7485      0.00000
     16      10.0468      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4116     -0.00000
     16       8.7506      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7517      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4119     -0.00000
     16       8.7510      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4122     -0.00000
     16       8.7509      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7518      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64988
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7504      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8418      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8495      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8358      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8777      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6379     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8686      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6379     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8789      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2238      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.7527      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2238      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.7210      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2238      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.7157      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.6938      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.7045      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.7077      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41663
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2391     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41662
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2806     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41662
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2483     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41662
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2522     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41662
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2458     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41662
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.4231     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8852      1.00000
      2      -0.8840      1.00000
      3      -0.8564      1.00000
      4      -0.0150      1.00000
      5       0.0830      1.00000
      6       0.0847      1.00000
      7       1.1033      1.00000
      8       1.1035      1.00000
      9       1.7968      1.00000
     10       2.6645      1.00137
     11       4.0756     -0.00000
     12       4.0906     -0.00000
     13       5.9919     -0.00000
     14       6.0036     -0.00000
     15       6.0854     -0.00000
     16       8.0160     -0.00000
 Fermi energy:         3.1568870535

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9663      1.00000
      3      -8.6081      1.00000
      4      -6.7714      1.00000
      5      -4.3156      1.00000
      6      -1.5823      1.00000
      7       1.6594      1.00000
      8       4.6301     -0.00000
      9       5.4044     -0.00000
     10       7.9258     -0.00000
     11       7.9913     -0.00000
     12      11.8894      0.00000
     13      12.1895      0.00000
     14      16.0545      0.00000
     15      16.2491      0.00000
     16      16.3893      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8715      0.00000
     16      14.3120      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8715      0.00000
     16      14.3105      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7573      1.00000
      3      -8.3980      1.00000
      4      -6.5597      1.00000
      5      -4.0997      1.00000
      6      -1.3723      1.00000
      7       1.8727      1.00000
      8       4.8131     -0.00000
      9       5.5787     -0.00000
     10       8.0936     -0.00000
     11       8.1563     -0.00000
     12      12.0179      0.00000
     13      12.2833      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.3188      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2890      0.00000
     14      11.3875      0.00000
     15      12.5114      0.00000
     16      12.8623      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2890      0.00000
     14      11.3875      0.00000
     15      12.5044      0.00000
     16      12.7670      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1299      1.00000
      3      -7.7675      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7437      1.00000
      7       2.4975      1.00002
      8       5.3450     -0.00000
      9       6.0965     -0.00000
     10       8.4766     -0.00000
     11       8.6270      0.00000
     12       9.7193      0.00000
     13      10.2890      0.00000
     14      11.3875      0.00000
     15      12.5075      0.00000
     16      12.8242      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6040      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6246      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0833      1.00000
      3      -6.7155      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2928      1.00000
      7       3.4488     -0.02938
      8       5.6397     -0.00000
      9       6.5378     -0.00000
     10       6.8844     -0.00000
     11       7.0428     -0.00000
     12       8.0739     -0.00000
     13       9.3964      0.00000
     14       9.5758      0.00000
     15       9.8055      0.00000
     16      11.6116      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5142      0.00000
     16      10.8286      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5164      0.00000
     16      10.8314      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6151      1.00000
      3      -5.2405      1.00000
      4      -3.3878      1.00000
      5      -0.9179      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5452     -0.00960
      9       4.8143     -0.00000
     10       5.1614     -0.00000
     11       6.5085     -0.00000
     12       7.6501     -0.00000
     13       8.2061     -0.00000
     14       8.7259      0.00000
     15      10.5162      0.00000
     16      10.8325      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7445      0.00000
     16      10.4540      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7445      0.00000
     16      10.5087      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7226      1.00000
      3      -3.3471      1.00000
      4      -1.5346      1.00000
      5      -0.6868      1.00000
      6       0.1381      1.00000
      7       1.1269      1.00000
      8       2.0287      1.00000
      9       3.6379     -0.00175
     10       3.7440     -0.00013
     11       5.9468     -0.00000
     12       6.7360     -0.00000
     13       8.2403     -0.00000
     14       9.1942      0.00000
     15       9.7446      0.00000
     16      10.5063      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2817      0.00000
     16      10.6343      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2242      0.00000
     16      10.5406      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3811      1.00000
      2      -3.3642      1.00000
      3      -2.4205      1.00000
      4      -2.4188      1.00000
      5      -1.2834      1.00000
      6      -0.8938      1.00000
      7       0.6238      1.00000
      8       1.3686      1.00000
      9       3.3979     -0.03540
     10       3.5438     -0.00982
     11       5.6751     -0.00000
     12       6.0238     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2625      0.00000
     16      10.5379      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4121      0.00000
     13      11.4286      0.00000
     14      11.8983      0.00000
     15      12.0415      0.00000
     16      12.6555      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4120      0.00000
     13      11.4283      0.00000
     14      11.8991      0.00000
     15      12.0446      0.00000
     16      12.6422      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3391      1.00000
      3      -7.9777      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1723     -0.00000
      9       5.9254     -0.00000
     10       8.4180     -0.00000
     11       8.4643     -0.00000
     12      11.4120      0.00000
     13      11.4282      0.00000
     14      11.8974      0.00000
     15      12.0590      0.00000
     16      12.7328      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7337      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1728      0.00000
     16      10.7336      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7335      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7337      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7332      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5022      1.00000
      3      -7.1365      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1188      1.00000
      7       3.0945      0.74962
      8       5.8244     -0.00000
      9       6.5934     -0.00000
     10       7.8426     -0.00000
     11       8.6088     -0.00000
     12       8.9984      0.00000
     13       9.4172      0.00000
     14       9.8474      0.00000
     15      10.1726      0.00000
     16      10.7334      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8822      0.00000
     15       9.6162      0.00000
     16      10.0828      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8840      0.00000
     15       9.6185      0.00000
     16      10.1869      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8827      0.00000
     15       9.6160      0.00000
     16      10.1530      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8840      0.00000
     15       9.6168      0.00000
     16      10.1604      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8825      0.00000
     15       9.6208      0.00000
     16      10.2715      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2449      1.00000
      3      -5.8730      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4282     -0.00000
     10       6.5168     -0.00000
     11       7.0850     -0.00000
     12       7.6897     -0.00000
     13       8.1690     -0.00000
     14       8.8821      0.00000
     15       9.6163      0.00000
     16      10.1623      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6469      0.00000
     15       9.0981      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6469      0.00000
     15       9.0976      0.00000
     16       9.1406      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6466      0.00000
     15       9.0976      0.00000
     16       9.1411      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6466      0.00000
     15       9.0977      0.00000
     16       9.1406      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6466      0.00000
     15       9.0976      0.00000
     16       9.1404      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5194      1.00000
      2      -5.5645      1.00000
      3      -4.1871      1.00000
      4      -2.3417      1.00000
      5       0.0300      1.00000
      6       0.9862      1.00000
      7       1.9924      1.00000
      8       2.9952      0.99213
      9       3.5316     -0.01175
     10       5.1812     -0.00000
     11       5.9286     -0.00000
     12       7.3375     -0.00000
     13       7.9790     -0.00000
     14       8.6468      0.00000
     15       9.0978      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8660      0.00000
     16       9.7084      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8655      0.00000
     16       9.7146      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8654      0.00000
     16       9.7155      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8654      0.00000
     16       9.7097      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8654      0.00000
     16       9.7083      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4218      1.00000
      2      -3.4629      1.00000
      3      -2.1043      1.00000
      4      -1.9113      1.00000
      5      -1.0237      1.00000
      6      -0.3658      1.00000
      7       0.6461      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9057     -0.00000
     12       7.0266     -0.00000
     13       7.4961     -0.00000
     14       8.0235     -0.00000
     15       8.8654      0.00000
     16       9.7258      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7485      0.00000
     16      10.0570      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7485      0.00000
     16      10.0492      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4548      1.00000
      3      -6.0838      1.00000
      4      -4.2314      1.00000
      5      -1.7453      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0120     -0.00000
      9       6.4841     -0.00000
     10       7.2332     -0.00000
     11       7.3134     -0.00000
     12       7.5134     -0.00000
     13       7.5970     -0.00000
     14       8.3869     -0.00000
     15       8.7485      0.00000
     16      10.0540      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4118     -0.00000
     16       8.7505      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4119     -0.00000
     16       8.7510      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7517      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7512      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4120     -0.00000
     16       8.7505      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9856      1.00000
      3      -4.6086      1.00000
      4      -2.7565      1.00000
      5      -0.2984      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64989
      8       4.1193     -0.00000
      9       5.0876     -0.00000
     10       5.3656     -0.00000
     11       5.9199     -0.00000
     12       6.4981     -0.00000
     13       7.0112     -0.00000
     14       7.7638     -0.00000
     15       8.4114     -0.00000
     16       8.7518      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8581      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8301      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8500      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8624      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8544      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0937      1.00000
      3      -2.7190      1.00000
      4      -0.9170      1.00000
      5      -0.0704      1.00000
      6       0.7401      1.00000
      7       1.7169      1.00000
      8       2.5996      1.00029
      9       4.0689     -0.00000
     10       4.2601     -0.00000
     11       4.8555     -0.00000
     12       5.7450     -0.00000
     13       6.6378     -0.00000
     14       7.4089     -0.00000
     15       7.5509     -0.00000
     16       8.8798      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.6729      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.6680      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7555      1.00000
      2      -2.7383      1.00000
      3      -1.8072      1.00000
      4      -1.7866      1.00000
      5      -0.6694      1.00000
      6      -0.2813      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7886     -0.00004
     10       3.9056     -0.00000
     11       4.7179     -0.00000
     12       5.7674     -0.00000
     13       6.3936     -0.00000
     14       6.7646     -0.00000
     15       7.1337     -0.00000
     16       8.6933      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.6975      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.6939      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3045      1.00000
      3      -2.9270      1.00000
      4      -1.0997      1.00000
      5       1.1625      1.00000
      6       2.0857      1.00000
      7       2.2489      1.00000
      8       2.9951      0.99211
      9       3.4643     -0.02597
     10       4.2364     -0.00000
     11       4.4930     -0.00000
     12       4.8611     -0.00000
     13       6.1969     -0.00000
     14       6.8417     -0.00000
     15       7.2769     -0.00000
     16       8.6969      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41664
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2458     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41664
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2658     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41663
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2583     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41663
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2911     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41664
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2568     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2106      1.00000
      3      -0.8679      1.00000
      4      -0.6649      1.00000
      5       0.1988      1.00000
      6       0.8160      1.00000
      7       1.7424      1.00000
      8       1.8302      1.00000
      9       2.5744      1.00015
     10       3.1766      0.41663
     11       4.1391     -0.00000
     12       4.6652     -0.00000
     13       6.0524     -0.00000
     14       6.1485     -0.00000
     15       6.3715     -0.00000
     16       8.2876     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8852      1.00000
      2      -0.8840      1.00000
      3      -0.8564      1.00000
      4      -0.0150      1.00000
      5       0.0830      1.00000
      6       0.0847      1.00000
      7       1.1033      1.00000
      8       1.1035      1.00000
      9       1.7968      1.00000
     10       2.6645      1.00137
     11       4.0756     -0.00000
     12       4.0906     -0.00000
     13       5.9919     -0.00000
     14       6.0036     -0.00000
     15       6.0854     -0.00000
     16       8.0166     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.767  23.495   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.767  23.495   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.950 -61.929   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.929  33.077  -0.000   0.071  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.149   0.071   0.000   1.703   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.2393: real time    421.2682
    FORNL :  cpu time      0.4979: real time      0.5039
    FORCOR:  cpu time      1.9484: real time      1.9596
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.210E-09 -.223E-05 0.182E+03   0.417E-13 0.274E-13 -.181E+03   0.130E-06 0.261E-05 -.108E+01
   0.388E-05 0.213E-05 0.925E+02   -.576E-15 0.855E-15 -.925E+02   -.509E-05 -.229E-05 -.578E-01
   0.214E-05 0.204E-05 -.290E+00   -.143E-12 -.844E-13 0.275E+00   -.262E-05 -.245E-05 0.268E-01
   0.252E-05 0.259E-05 -.928E+02   0.136E-12 0.823E-13 0.927E+02   -.397E-05 -.242E-05 0.101E+00
   -.229E-05 -.333E-05 -.182E+03   -.445E-13 -.231E-13 0.181E+03   0.327E-05 0.315E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.763E-05 0.182E-05 -.244E-02   -.971E-14 0.313E-14 0.284E-13   -.829E-05 -.142E-05 0.132E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.038446
      0.00000      0.00000      2.36234        -0.000000      0.000000      0.004908
      1.42873      0.82488      4.66977        -0.000000     -0.000001      0.011791
      2.85746      1.64976      6.98209        -0.000001      0.000000      0.013135
      0.00000      0.00000      9.35871         0.000001     -0.000000      0.008611
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000000     -0.001168


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90379150 eV

  energy  without entropy=      -13.89657955  energy(sigma->0) =      -13.90138752
 
 d Force = 0.4084201E-04[ 0.412E-04, 0.405E-04]  d Energy = 0.3882333E-04 0.202E-05
 d Force = 0.2313045E+00[ 0.231E+00, 0.231E+00]  d Ewald  = 0.2313045E+00-0.459E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9498: real time      1.9611


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.198E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1374
 eigenvalue spectrum of G is  0.1374


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0762
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9486: real time      1.9607
    EDDIAG:  cpu time    577.6270: real time    582.5480
    CHARGE:  cpu time      0.2648: real time      0.2670
 writing wavefunctions
     LOOP+:  cpu time   8027.4119: real time   8096.9300


--------------------------------------- Iteration     10(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7278
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    582.4745: real time    587.5055
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    584.7067: real time    589.7522

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3388617E-05  (-0.2986936E-05)
 number of electron      15.0000000 magnetization      -0.0000042
 augmentation part       -0.0008485 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12810365
  -Hartree energ DENC   =      -704.07903464
  -exchange      EXHF   =        33.27797055
  -V(xc)+E(xc)   XCENC  =       -83.54525855
  PAW double counting   =    101006.74733449  -100905.78947902
  entropy T*S    EENTRO =        -0.00719728
  eigenvalues    EBANDS =       -35.21760719
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90378521 eV

  energy without entropy =      -13.89658793  energy(sigma->0) =      -13.90138611
  exchange ACFDT corr.  =        -0.00667258  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     10(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2310: real time      1.2364
    TRIAL :  cpu time    584.6341: real time    589.7078
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    583.7965: real time    588.8327
    CHARGE:  cpu time      0.2642: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time   1170.6528: real time   1180.7764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1093955E-05  (-0.2049413E-05)
 number of electron      15.0000000 magnetization      -0.0000041
 augmentation part       -0.0008479 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.12810365
  -Hartree energ DENC   =      -704.06048334
  -exchange      EXHF   =        33.27795664
  -V(xc)+E(xc)   XCENC  =       -83.54526857
  PAW double counting   =    101007.14667746  -100906.18881942
  entropy T*S    EENTRO =        -0.00719636
  eigenvalues    EBANDS =       -35.23612563
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90378630 eV

  energy without entropy =      -13.89658994  energy(sigma->0) =      -13.90138751
  exchange ACFDT corr.  =        -0.00667168  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9762


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8879       2 -69.7638       3 -69.7606       4 -69.7763       5 -69.9037
 
 
 
 E-fermi :   3.1567     XC(G=0):  -5.1190     alpha+bet : -8.9779

 Fermi energy:         3.1567487450

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9046      1.00000
      2      -9.9673      1.00000
      3      -8.6087      1.00000
      4      -6.7715      1.00000
      5      -4.3160      1.00000
      6      -1.5827      1.00000
      7       1.6590      1.00000
      8       4.6304     -0.00000
      9       5.4051     -0.00000
     10       7.9262     -0.00000
     11       7.9916     -0.00000
     12      11.8896      0.00000
     13      12.1897      0.00000
     14      16.0478      0.00000
     15      16.1296      0.00000
     16      16.2440      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8729      0.00000
     16      14.3244      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8710      0.00000
     16      14.4219      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8711      0.00000
     16      14.3222      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7681      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5041      0.00000
     16      12.7663      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7681      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5068      0.00000
     16      12.8022      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7681      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5076      0.00000
     16      12.8652      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3828      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6014      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3828      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6078      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3828      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6293      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5153      0.00000
     16      10.8286      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5154      0.00000
     16      10.8285      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5152      0.00000
     16      10.8285      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7358     -0.00000
     13       8.2399     -0.00000
     14       9.1944      0.00000
     15       9.7453      0.00000
     16      10.6008      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7358     -0.00000
     13       8.2399     -0.00000
     14       9.1943      0.00000
     15       9.7452      0.00000
     16      10.3908      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7358     -0.00000
     13       8.2399     -0.00000
     14       9.1944      0.00000
     15       9.7452      0.00000
     16      10.4349      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3977     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2196      0.00000
     16      10.5377      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3977     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2222      0.00000
     16      10.5539      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3977     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2184      0.00000
     16      10.5371      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4111      0.00000
     13      11.4282      0.00000
     14      11.8974      0.00000
     15      12.0394      0.00000
     16      12.6622      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4112      0.00000
     13      11.4291      0.00000
     14      11.8988      0.00000
     15      12.0385      0.00000
     16      12.6614      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4111      0.00000
     13      11.4275      0.00000
     14      11.8990      0.00000
     15      12.0402      0.00000
     16      12.6578      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7329      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1718      0.00000
     16      10.7329      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7330      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1718      0.00000
     16      10.7327      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7332      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75002
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7325      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8818      0.00000
     15       9.6177      0.00000
     16      10.1845      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8817      0.00000
     15       9.6189      0.00000
     16      10.0778      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8832      0.00000
     15       9.6237      0.00000
     16      10.2654      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6183      0.00000
     16      10.2596      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8816      0.00000
     15       9.6163      0.00000
     16      10.1132      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8859      0.00000
     15       9.9169      0.00000
     16      10.2214      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6471      0.00000
     15       9.0987      0.00000
     16       9.1397      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6468      0.00000
     15       9.0983      0.00000
     16       9.1399      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6466      0.00000
     15       9.0982      0.00000
     16       9.1397      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6466      0.00000
     15       9.0982      0.00000
     16       9.1397      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6470      0.00000
     15       9.0982      0.00000
     16       9.1404      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6467      0.00000
     15       9.0987      0.00000
     16       9.1397      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8646      0.00000
     16       9.7132      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7291      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8664      0.00000
     16       9.7331      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7092      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8646      0.00000
     16       9.7076      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8648      0.00000
     16       9.7370      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7490      0.00000
     16      10.0530      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3863     -0.00000
     15       8.7480      0.00000
     16      10.0601      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7479      0.00000
     16      10.0471      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4116     -0.00000
     16       8.7512      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7523      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4119     -0.00000
     16       8.7517      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4122     -0.00000
     16       8.7515      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7524      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64947
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7511      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8411      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8497      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8356      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8773      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8680      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8783      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2818      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1331     -0.00000
     16       8.7498      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2818      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1331     -0.00000
     16       8.7189      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2818      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1331     -0.00000
     16       8.7138      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99242
      9       3.4634     -0.02607
     10       4.2360     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.6934      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99242
      9       3.4634     -0.02607
     10       4.2360     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.7040      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99242
      9       3.4634     -0.02607
     10       4.2360     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.7072      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2387     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2793     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2478     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2515     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2453     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6657      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.4222     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8868      1.00000
      2      -0.8841      1.00000
      3      -0.8572      1.00000
      4      -0.0158      1.00000
      5       0.0807      1.00000
      6       0.0848      1.00000
      7       1.1009      1.00000
      8       1.1044      1.00000
      9       1.7964      1.00000
     10       2.6644      1.00138
     11       4.0789     -0.00000
     12       4.0872     -0.00000
     13       5.9923     -0.00000
     14       6.0028     -0.00000
     15       6.0848     -0.00000
     16       8.0159     -0.00000
 Fermi energy:         3.1567487450

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9046      1.00000
      2      -9.9673      1.00000
      3      -8.6088      1.00000
      4      -6.7715      1.00000
      5      -4.3160      1.00000
      6      -1.5827      1.00000
      7       1.6590      1.00000
      8       4.6304     -0.00000
      9       5.4051     -0.00000
     10       7.9262     -0.00000
     11       7.9916     -0.00000
     12      11.8896      0.00000
     13      12.1897      0.00000
     14      16.0532      0.00000
     15      16.2380      0.00000
     16      16.3846      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8706      0.00000
     16      14.3112      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8706      0.00000
     16      14.3097      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6962      1.00000
      2      -9.7583      1.00000
      3      -8.3987      1.00000
      4      -6.5598      1.00000
      5      -4.1002      1.00000
      6      -1.3727      1.00000
      7       1.8724      1.00000
      8       4.8133     -0.00000
      9       5.5795     -0.00000
     10       8.0940     -0.00000
     11       8.1565     -0.00000
     12      12.0180      0.00000
     13      12.2834      0.00000
     14      13.1107      0.00000
     15      13.8711      0.00000
     16      14.3178      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7682      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5114      0.00000
     16      12.8610      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7682      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5045      0.00000
     16      12.7667      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0710      1.00000
      2      -9.1309      1.00000
      3      -7.7682      1.00000
      4      -5.9246      1.00000
      5      -3.4538      1.00000
      6      -0.7441      1.00000
      7       2.4972      1.00002
      8       5.3452     -0.00000
      9       6.0973     -0.00000
     10       8.4768     -0.00000
     11       8.6273      0.00000
     12       9.7186      0.00000
     13      10.2882      0.00000
     14      11.3868      0.00000
     15      12.5075      0.00000
     16      12.8233      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3829      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6035      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3829      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6239      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0284      1.00000
      2      -8.0843      1.00000
      3      -6.7162      1.00000
      4      -4.8661      1.00000
      5      -2.3829      1.00000
      6       0.2924      1.00000
      7       3.4484     -0.02940
      8       5.6392     -0.00000
      9       6.5378     -0.00000
     10       6.8835     -0.00000
     11       7.0434     -0.00000
     12       8.0733     -0.00000
     13       9.3966      0.00000
     14       9.5759      0.00000
     15       9.8055      0.00000
     16      11.6110      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5144      0.00000
     16      10.8288      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5166      0.00000
     16      10.8315      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5664      1.00000
      2      -6.6160      1.00000
      3      -5.2411      1.00000
      4      -3.3879      1.00000
      5      -0.9183      1.00000
      6       1.5784      1.00000
      7       2.5315      1.00005
      8       3.5443     -0.00966
      9       4.8137     -0.00000
     10       5.1610     -0.00000
     11       6.5084     -0.00000
     12       7.6503     -0.00000
     13       8.2068     -0.00000
     14       8.7255      0.00000
     15      10.5164      0.00000
     16      10.8325      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2399     -0.00000
     14       9.1944      0.00000
     15       9.7452      0.00000
     16      10.4514      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2399     -0.00000
     14       9.1944      0.00000
     15       9.7452      0.00000
     16      10.5057      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6813      1.00000
      2      -4.7236      1.00000
      3      -3.3478      1.00000
      4      -1.5348      1.00000
      5      -0.6876      1.00000
      6       0.1372      1.00000
      7       1.1264      1.00000
      8       2.0281      1.00000
      9       3.6378     -0.00174
     10       3.7436     -0.00013
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2399     -0.00000
     14       9.1944      0.00000
     15       9.7453      0.00000
     16      10.5033      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3976     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2758      0.00000
     16      10.6302      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3976     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2224      0.00000
     16      10.5402      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3820      1.00000
      2      -3.3650      1.00000
      3      -2.4216      1.00000
      4      -2.4197      1.00000
      5      -1.2842      1.00000
      6      -0.8944      1.00000
      7       0.6237      1.00000
      8       1.3685      1.00000
      9       3.3976     -0.03540
     10       3.5432     -0.00982
     11       5.6749     -0.00000
     12       6.0234     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2556      0.00000
     16      10.5377      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4112      0.00000
     13      11.4277      0.00000
     14      11.8977      0.00000
     15      12.0405      0.00000
     16      12.6553      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4111      0.00000
     13      11.4275      0.00000
     14      11.8984      0.00000
     15      12.0431      0.00000
     16      12.6413      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2795      1.00000
      2      -9.3401      1.00000
      3      -7.9784      1.00000
      4      -6.1364      1.00000
      5      -3.6690      1.00000
      6      -0.9533      1.00000
      7       2.2919      1.00000
      8       5.1725     -0.00000
      9       5.9261     -0.00000
     10       8.4184     -0.00000
     11       8.4645     -0.00000
     12      11.4111      0.00000
     13      11.4274      0.00000
     14      11.8969      0.00000
     15      12.0571      0.00000
     16      12.7313      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1718      0.00000
     16      10.7328      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1720      0.00000
     16      10.7329      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7326      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1718      0.00000
     16      10.7328      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1719      0.00000
     16      10.7324      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4456      1.00000
      2      -8.5032      1.00000
      3      -7.1372      1.00000
      4      -5.2895      1.00000
      5      -2.8099      1.00000
      6      -0.1191      1.00000
      7       3.0941      0.75004
      8       5.8246     -0.00000
      9       6.5941     -0.00000
     10       7.8421     -0.00000
     11       8.6079     -0.00000
     12       8.9986      0.00000
     13       9.4173      0.00000
     14       9.8467      0.00000
     15      10.1718      0.00000
     16      10.7325      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8816      0.00000
     15       9.6153      0.00000
     16      10.0815      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8831      0.00000
     15       9.6175      0.00000
     16      10.1845      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8820      0.00000
     15       9.6151      0.00000
     16      10.1505      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8831      0.00000
     15       9.6159      0.00000
     16      10.1576      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8819      0.00000
     15       9.6198      0.00000
     16      10.2716      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1935      1.00000
      2      -7.2459      1.00000
      3      -5.8736      1.00000
      4      -4.0202      1.00000
      5      -1.5362      1.00000
      6       1.0974      1.00000
      7       3.8156     -0.00002
      8       4.6899     -0.00000
      9       5.4274     -0.00000
     10       6.5162     -0.00000
     11       7.0851     -0.00000
     12       7.6904     -0.00000
     13       8.1689     -0.00000
     14       8.8815      0.00000
     15       9.6153      0.00000
     16      10.1607      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6469      0.00000
     15       9.0986      0.00000
     16       9.1402      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6468      0.00000
     15       9.0982      0.00000
     16       9.1398      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6466      0.00000
     15       9.0982      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6466      0.00000
     15       9.0983      0.00000
     16       9.1397      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6466      0.00000
     15       9.0982      0.00000
     16       9.1396      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5203      1.00000
      2      -5.5655      1.00000
      3      -4.1878      1.00000
      4      -2.3418      1.00000
      5       0.0295      1.00000
      6       0.9855      1.00000
      7       1.9915      1.00000
      8       2.9948      0.99223
      9       3.5310     -0.01177
     10       5.1811     -0.00000
     11       5.9283     -0.00000
     12       7.3370     -0.00000
     13       7.9785     -0.00000
     14       8.6467      0.00000
     15       9.0984      0.00000
     16       9.1397      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0247      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8650      0.00000
     16       9.7079      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7140      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7149      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0247      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7092      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0247      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7078      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4227      1.00000
      2      -3.4639      1.00000
      3      -2.1050      1.00000
      4      -1.9121      1.00000
      5      -1.0246      1.00000
      6      -0.3661      1.00000
      7       0.6456      1.00000
      8       2.2863      1.00000
      9       2.6680      1.00149
     10       4.7500     -0.00000
     11       4.9054     -0.00000
     12       7.0262     -0.00000
     13       7.4956     -0.00000
     14       8.0231     -0.00000
     15       8.8645      0.00000
     16       9.7252      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7479      0.00000
     16      10.0566      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7479      0.00000
     16      10.0491      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4025      1.00000
      2      -7.4558      1.00000
      3      -6.0845      1.00000
      4      -4.2315      1.00000
      5      -1.7457      1.00000
      6       0.9060      1.00000
      7       3.9844     -0.00000
      8       6.0114     -0.00000
      9       6.4834     -0.00000
     10       7.2327     -0.00000
     11       7.3130     -0.00000
     12       7.5125     -0.00000
     13       7.5975     -0.00000
     14       8.3862     -0.00000
     15       8.7479      0.00000
     16      10.0542      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4118     -0.00000
     16       8.7511      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4119     -0.00000
     16       8.7516      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7523      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7518      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4120     -0.00000
     16       8.7511      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9396      1.00000
      2      -5.9866      1.00000
      3      -4.6093      1.00000
      4      -2.7566      1.00000
      5      -0.2988      1.00000
      6       2.1629      1.00000
      7       3.1202      0.64948
      8       4.1184     -0.00000
      9       5.0870     -0.00000
     10       5.3650     -0.00000
     11       5.9192     -0.00000
     12       6.4975     -0.00000
     13       7.0108     -0.00000
     14       7.7634     -0.00000
     15       8.4115     -0.00000
     16       8.7524      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8575      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8295      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8501      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8622      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8544      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0536      1.00000
      2      -4.0947      1.00000
      3      -2.7197      1.00000
      4      -0.9171      1.00000
      5      -0.0712      1.00000
      6       0.7392      1.00000
      7       1.7164      1.00000
      8       2.5990      1.00029
      9       4.0686     -0.00000
     10       4.2597     -0.00000
     11       4.8548     -0.00000
     12       5.7442     -0.00000
     13       6.6375     -0.00000
     14       7.4084     -0.00000
     15       7.5505     -0.00000
     16       8.8792      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2819      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1330     -0.00000
     16       8.6725      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2819      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1330     -0.00000
     16       8.6678      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7564      1.00000
      2      -2.7391      1.00000
      3      -1.8081      1.00000
      4      -1.7877      1.00000
      5      -0.6702      1.00000
      6      -0.2819      1.00000
      7       1.2236      1.00000
      8       1.9609      1.00000
      9       3.7882     -0.00004
     10       3.9051     -0.00000
     11       4.7171     -0.00000
     12       5.7668     -0.00000
     13       6.3934     -0.00000
     14       6.7641     -0.00000
     15       7.1330     -0.00000
     16       8.6922      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99243
      9       3.4634     -0.02607
     10       4.2359     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.6971      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99243
      9       3.4634     -0.02607
     10       4.2359     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.6936      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2640      1.00000
      2      -4.3055      1.00000
      3      -2.9277      1.00000
      4      -1.0998      1.00000
      5       1.1620      1.00000
      6       2.0849      1.00000
      7       2.2481      1.00000
      8       2.9943      0.99243
      9       3.4634     -0.02607
     10       4.2359     -0.00000
     11       4.4925     -0.00000
     12       4.8605     -0.00000
     13       6.1968     -0.00000
     14       6.8416     -0.00000
     15       7.2766     -0.00000
     16       8.6965      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41648
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2454     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41648
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2647     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41647
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2574     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41648
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2899     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41648
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2560     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1669      1.00000
      2      -2.2116      1.00000
      3      -0.8686      1.00000
      4      -0.6658      1.00000
      5       0.1979      1.00000
      6       0.8156      1.00000
      7       1.7416      1.00000
      8       1.8296      1.00000
      9       2.5735      1.00015
     10       3.1763      0.41648
     11       4.1388     -0.00000
     12       4.6648     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3711     -0.00000
     16       8.2862     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8868      1.00000
      2      -0.8841      1.00000
      3      -0.8572      1.00000
      4      -0.0158      1.00000
      5       0.0807      1.00000
      6       0.0848      1.00000
      7       1.1009      1.00000
      8       1.1043      1.00000
      9       1.7964      1.00000
     10       2.6644      1.00138
     11       4.0789     -0.00000
     12       4.0872     -0.00000
     13       5.9923     -0.00000
     14       6.0028     -0.00000
     15       6.0848     -0.00000
     16       8.0164     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.954 -61.931   0.000  -0.148   0.000  -0.000  -0.012  -0.000
-61.931  33.078  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.069  -0.000   0.000  -0.321   0.000   0.000
 -0.148   0.070  -0.000   1.703   0.000   0.000  -0.261  -0.000
  0.000  -0.000   0.000   0.000   2.069   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.3534: real time    421.4237
    FORNL :  cpu time      0.4983: real time      0.5042
    FORCOR:  cpu time      1.9503: real time      1.9621
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.311E-05 -.635E-05 0.182E+03   0.410E-13 0.291E-13 -.181E+03   0.409E-05 0.632E-05 -.109E+01
   -.782E-06 0.733E-05 0.925E+02   0.773E-14 0.172E-14 -.924E+02   -.480E-06 -.711E-05 -.463E-01
   0.140E-05 0.207E-05 -.292E+00   -.152E-12 -.848E-13 0.277E+00   -.177E-05 -.304E-05 0.313E-01
   -.514E-07 0.456E-05 -.928E+02   0.139E-12 0.815E-13 0.927E+02   -.902E-06 -.477E-05 0.103E+00
   -.323E-05 -.151E-05 -.182E+03   -.459E-13 -.244E-13 0.181E+03   0.422E-05 0.153E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.513E-05 0.700E-05 -.896E-02   -.971E-14 0.313E-14 -.568E-13   0.516E-05 -.707E-05 0.217E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.044166
      0.00000      0.00000      2.36200        -0.000001      0.000000      0.008068
      1.42873      0.82488      4.66958         0.000000     -0.000001      0.012599
      2.85746      1.64976      6.98197        -0.000001     -0.000000      0.014497
      0.00000      0.00000      9.35858         0.000001      0.000000      0.009002
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000      0.013953


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90378630 eV

  energy  without entropy=      -13.89658994  energy(sigma->0) =      -13.90138751
 
 d Force =-0.7452828E-05[-0.818E-05,-0.673E-05]  d Energy =-0.5200345E-05-0.225E-05
 d Force =-0.4292373E-02[-0.429E-02,-0.429E-02]  d Ewald  =-0.4292373E-02 0.161E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9496: real time      1.9617


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.248E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.4571
 eigenvalue spectrum of G is  0.1050  2.8092


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0059: real time      0.0834
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9488: real time      1.9609
    EDDIAG:  cpu time    580.6341: real time    585.6792
    CHARGE:  cpu time      0.2654: real time      0.2679
 writing wavefunctions
     LOOP+:  cpu time   2761.9906: real time   2785.5262


--------------------------------------- Iteration     11(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7273
    SETDIJ:  cpu time      1.2315: real time      1.2372
    TRIAL :  cpu time    585.1522: real time    590.2868
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2649: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    587.3841: real time    592.5337

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2655415E-04  (-0.1220204E-03)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0008513 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -704.20555770
  -exchange      EXHF   =        33.27812165
  -V(xc)+E(xc)   XCENC  =       -83.54517895
  PAW double counting   =    101009.36186176  -100908.40403429
  entropy T*S    EENTRO =        -0.00722301
  eigenvalues    EBANDS =       -35.03086015
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90375865 eV

  energy without entropy =      -13.89653564  energy(sigma->0) =      -13.90135098
  exchange ACFDT corr.  =        -0.00669026  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7283
    SETDIJ:  cpu time      1.2299: real time      1.2354
    TRIAL :  cpu time    586.1931: real time    591.2994
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    588.4161: real time    593.5365

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1903043E-04  (-0.5363628E-04)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0008511 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -703.98041900
  -exchange      EXHF   =        33.27736641
  -V(xc)+E(xc)   XCENC  =       -83.54545637
  PAW double counting   =    101006.22323010  -100905.26536789
  entropy T*S    EENTRO =        -0.00722226
  eigenvalues    EBANDS =       -35.25502523
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377768 eV

  energy without entropy =      -13.89655542  energy(sigma->0) =      -13.90137026
  exchange ACFDT corr.  =        -0.00667891  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2322: real time      1.2376
    TRIAL :  cpu time    581.5328: real time    586.6405
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    583.7575: real time    588.8790

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1844518E-04  (-0.1659544E-04)
 number of electron      15.0000000 magnetization      -0.0000034
 augmentation part       -0.0008512 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -703.91366485
  -exchange      EXHF   =        33.27703789
  -V(xc)+E(xc)   XCENC  =       -83.54557715
  PAW double counting   =    101005.36406558  -100904.40619910
  entropy T*S    EENTRO =        -0.00722584
  eigenvalues    EBANDS =       -35.32135354
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379613 eV

  energy without entropy =      -13.89657029  energy(sigma->0) =      -13.90138752
  exchange ACFDT corr.  =        -0.00667725  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2295: real time      1.2352
    TRIAL :  cpu time    579.8990: real time    584.9821
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    582.1208: real time    587.2180

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8526462E-05  (-0.1230297E-04)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0008517 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -704.00020303
  -exchange      EXHF   =        33.27718754
  -V(xc)+E(xc)   XCENC  =       -83.54552674
  PAW double counting   =    101006.48019813  -100905.52233201
  entropy T*S    EENTRO =        -0.00722726
  eigenvalues    EBANDS =       -35.23502002
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90380465 eV

  energy without entropy =      -13.89657740  energy(sigma->0) =      -13.90139557
  exchange ACFDT corr.  =        -0.00668125  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7282
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    583.2430: real time    588.3146
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    585.4667: real time    590.5525

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5651818E-06  (-0.1035863E-04)
 number of electron      15.0000000 magnetization      -0.0000033
 augmentation part       -0.0008520 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -704.04990778
  -exchange      EXHF   =        33.27732526
  -V(xc)+E(xc)   XCENC  =       -83.54547990
  PAW double counting   =    101007.08611370  -100906.12824742
  entropy T*S    EENTRO =        -0.00722538
  eigenvalues    EBANDS =       -35.18549801
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90380409 eV

  energy without entropy =      -13.89657871  energy(sigma->0) =      -13.90139563
  exchange ACFDT corr.  =        -0.00668338  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     11(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2299: real time      1.2352
    TRIAL :  cpu time    581.7381: real time    586.8421
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    584.6658: real time    589.7554
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time   1168.6258: real time   1178.8330

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5289039E-05  (-0.1074746E-05)
 number of electron      15.0000000 magnetization      -0.0000032
 augmentation part       -0.0008521 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.06773307
  -Hartree energ DENC   =      -704.01853173
  -exchange      EXHF   =        33.27724921
  -V(xc)+E(xc)   XCENC  =       -83.54549649
  PAW double counting   =    101006.85664097  -100905.89877776
  entropy T*S    EENTRO =        -0.00722366
  eigenvalues    EBANDS =       -35.21682397
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90380938 eV

  energy without entropy =      -13.89658572  energy(sigma->0) =      -13.90140149
  exchange ACFDT corr.  =        -0.00668054  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9378


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8919       2 -69.7638       3 -69.7567       4 -69.7723       5 -69.9022
 
 
 
 E-fermi :   3.1570     XC(G=0):  -5.1191     alpha+bet : -8.9779

 Fermi energy:         3.1569533246

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9023      1.00000
      2      -9.9655      1.00000
      3      -8.6075      1.00000
      4      -6.7714      1.00000
      5      -4.3156      1.00000
      6      -1.5822      1.00000
      7       1.6593      1.00000
      8       4.6295     -0.00000
      9       5.4034     -0.00000
     10       7.9254     -0.00000
     11       7.9907     -0.00000
     12      11.8889      0.00000
     13      12.1893      0.00000
     14      16.0499      0.00000
     15      16.1180      0.00000
     16      16.2199      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8739      0.00000
     16      14.3240      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8726      0.00000
     16      14.4086      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8727      0.00000
     16      14.3222      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5035      0.00000
     16      12.7662      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5059      0.00000
     16      12.7999      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5067      0.00000
     16      12.8619      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6404     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6020      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6404     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6082      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6403     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6290      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5146      0.00000
     16      10.8279      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5146      0.00000
     16      10.8276      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5145      0.00000
     16      10.8275      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1938      0.00000
     15       9.7437      0.00000
     16      10.5917      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1937      0.00000
     15       9.7437      0.00000
     16      10.3923      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1937      0.00000
     15       9.7436      0.00000
     16      10.4319      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00983
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2214      0.00000
     16      10.5375      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00984
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2230      0.00000
     16      10.5485      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00983
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2206      0.00000
     16      10.5369      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9528      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4299      0.00000
     14      11.8984      0.00000
     15      12.0406      0.00000
     16      12.6607      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9528      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4305      0.00000
     14      11.8996      0.00000
     15      12.0399      0.00000
     16      12.6586      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9528      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4294      0.00000
     14      11.8996      0.00000
     15      12.0413      0.00000
     16      12.6569      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7345      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1736      0.00000
     16      10.7344      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7345      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7343      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7348      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75094
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7341      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8833      0.00000
     15       9.6189      0.00000
     16      10.1742      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8833      0.00000
     15       9.6191      0.00000
     16      10.0728      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8843      0.00000
     15       9.6233      0.00000
     16      10.2629      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8858      0.00000
     15       9.6192      0.00000
     16      10.2568      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8832      0.00000
     15       9.6177      0.00000
     16      10.1047      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8865      0.00000
     15       9.8889      0.00000
     16      10.2141      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6468      0.00000
     15       9.0971      0.00000
     16       9.1414      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6467      0.00000
     15       9.0968      0.00000
     16       9.1414      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6465      0.00000
     15       9.0967      0.00000
     16       9.1413      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6466      0.00000
     15       9.0967      0.00000
     16       9.1414      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6468      0.00000
     15       9.0968      0.00000
     16       9.1418      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6466      0.00000
     15       9.0972      0.00000
     16       9.1413      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8663      0.00000
     16       9.7127      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7270      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8675      0.00000
     16       9.7290      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7092      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8663      0.00000
     16       9.7078      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8664      0.00000
     16       9.7342      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7495      0.00000
     16      10.0509      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7491      0.00000
     16      10.0588      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7490      0.00000
     16      10.0463      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4110     -0.00000
     16       8.7497      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4109     -0.00000
     16       8.7506      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4112     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4113     -0.00000
     16       8.7499      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4109     -0.00000
     16       8.7507      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64909
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4109     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8412      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8499      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8356      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8775      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8677      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8781      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.7419      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.7136      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.7090      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99142
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.6931      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99141
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.7033      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99142
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.7063      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2391     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2759     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2472     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2506     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2451     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8672      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.4208     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8845      1.00000
      2      -0.8816      1.00000
      3      -0.8550      1.00000
      4      -0.0139      1.00000
      5       0.0825      1.00000
      6       0.0870      1.00000
      7       1.1022      1.00000
      8       1.1065      1.00000
      9       1.7968      1.00000
     10       2.6642      1.00137
     11       4.0801     -0.00000
     12       4.0863     -0.00000
     13       5.9927     -0.00000
     14       6.0025     -0.00000
     15       6.0862     -0.00000
     16       8.0160     -0.00000
 Fermi energy:         3.1569533246

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9023      1.00000
      2      -9.9655      1.00000
      3      -8.6075      1.00000
      4      -6.7714      1.00000
      5      -4.3156      1.00000
      6      -1.5822      1.00000
      7       1.6593      1.00000
      8       4.6295     -0.00000
      9       5.4034     -0.00000
     10       7.9254     -0.00000
     11       7.9906     -0.00000
     12      11.8889      0.00000
     13      12.1893      0.00000
     14      16.0550      0.00000
     15      16.2100      0.00000
     16      16.3598      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8723      0.00000
     16      14.3130      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8723      0.00000
     16      14.3118      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7564      1.00000
      3      -8.3975      1.00000
      4      -6.5596      1.00000
      5      -4.0997      1.00000
      6      -1.3722      1.00000
      7       1.8726      1.00000
      8       4.8125     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1556     -0.00000
     12      12.0174      0.00000
     13      12.2830      0.00000
     14      13.1130      0.00000
     15      13.8727      0.00000
     16      14.3185      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5101      0.00000
     16      12.8560      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5039      0.00000
     16      12.7665      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1291      1.00000
      3      -7.7669      1.00000
      4      -5.9245      1.00000
      5      -3.4534      1.00000
      6      -0.7436      1.00000
      7       2.4974      1.00002
      8       5.3444     -0.00000
      9       6.0956     -0.00000
     10       8.4764     -0.00000
     11       8.6265      0.00000
     12       9.7205      0.00000
     13      10.2899      0.00000
     14      11.3880      0.00000
     15      12.5066      0.00000
     16      12.8200      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6403     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6040      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6403     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6239      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0261      1.00000
      2      -8.0824      1.00000
      3      -6.7149      1.00000
      4      -4.8660      1.00000
      5      -2.3824      1.00000
      6       0.2929      1.00000
      7       3.4488     -0.02945
      8       5.6403     -0.00000
      9       6.5377     -0.00000
     10       6.8853     -0.00000
     11       7.0421     -0.00000
     12       8.0744     -0.00000
     13       9.3960      0.00000
     14       9.5756      0.00000
     15       9.8053      0.00000
     16      11.6114      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5138      0.00000
     16      10.8278      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5156      0.00000
     16      10.8303      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5641      1.00000
      2      -6.6142      1.00000
      3      -5.2399      1.00000
      4      -3.3877      1.00000
      5      -0.9178      1.00000
      6       1.5793      1.00000
      7       2.5333      1.00005
      8       3.5459     -0.00951
      9       4.8147     -0.00000
     10       5.1617     -0.00000
     11       6.5086     -0.00000
     12       7.6496     -0.00000
     13       8.2052     -0.00000
     14       8.7260      0.00000
     15      10.5155      0.00000
     16      10.8313      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1937      0.00000
     15       9.7436      0.00000
     16      10.4457      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1937      0.00000
     15       9.7436      0.00000
     16      10.4964      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6790      1.00000
      2      -4.7217      1.00000
      3      -3.3465      1.00000
      4      -1.5345      1.00000
      5      -0.6853      1.00000
      6       0.1389      1.00000
      7       1.1271      1.00000
      8       2.0291      1.00000
      9       3.6379     -0.00175
     10       3.7443     -0.00013
     11       5.9469     -0.00000
     12       6.7361     -0.00000
     13       8.2404     -0.00000
     14       9.1937      0.00000
     15       9.7437      0.00000
     16      10.4941      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00984
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2668      0.00000
     16      10.6112      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00984
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2228      0.00000
     16      10.5395      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3796      1.00000
      2      -3.3627      1.00000
      3      -2.4196      1.00000
      4      -2.4178      1.00000
      5      -1.2826      1.00000
      6      -0.8934      1.00000
      7       0.6237      1.00000
      8       1.3687      1.00000
      9       3.3977     -0.03539
     10       3.5441     -0.00984
     11       5.6752     -0.00000
     12       6.0240     -0.00000
     13       8.4352     -0.00000
     14       8.8790      0.00000
     15      10.2454      0.00000
     16      10.5374      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9529      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4295      0.00000
     14      11.8987      0.00000
     15      12.0415      0.00000
     16      12.6538      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9529      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4294      0.00000
     14      11.8993      0.00000
     15      12.0435      0.00000
     16      12.6402      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2771      1.00000
      2      -9.3382      1.00000
      3      -7.9772      1.00000
      4      -6.1362      1.00000
      5      -3.6686      1.00000
      6      -0.9529      1.00000
      7       2.2921      1.00000
      8       5.1717     -0.00000
      9       5.9245     -0.00000
     10       8.4176     -0.00000
     11       8.4636     -0.00000
     12      11.4133      0.00000
     13      11.4293      0.00000
     14      11.8981      0.00000
     15      12.0549      0.00000
     16      12.7291      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1736      0.00000
     16      10.7344      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7345      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7342      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1736      0.00000
     16      10.7343      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7341      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4433      1.00000
      2      -8.5013      1.00000
      3      -7.1360      1.00000
      4      -5.2893      1.00000
      5      -2.8095      1.00000
      6      -0.1186      1.00000
      7       3.0944      0.75096
      8       5.8239     -0.00000
      9       6.5925     -0.00000
     10       7.8436     -0.00000
     11       8.6098     -0.00000
     12       8.9982      0.00000
     13       9.4170      0.00000
     14       9.8478      0.00000
     15      10.1737      0.00000
     16      10.7341      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8832      0.00000
     15       9.6169      0.00000
     16      10.0770      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8841      0.00000
     15       9.6185      0.00000
     16      10.1753      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8834      0.00000
     15       9.6168      0.00000
     16      10.1384      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8840      0.00000
     15       9.6173      0.00000
     16      10.1447      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1692     -0.00000
     14       8.8834      0.00000
     15       9.6204      0.00000
     16      10.2699      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1912      1.00000
      2      -7.2440      1.00000
      3      -5.8724      1.00000
      4      -4.0201      1.00000
      5      -1.5358      1.00000
      6       1.0979      1.00000
      7       3.8169     -0.00002
      8       4.6911     -0.00000
      9       5.4291     -0.00000
     10       6.5175     -0.00000
     11       7.0845     -0.00000
     12       7.6888     -0.00000
     13       8.1691     -0.00000
     14       8.8831      0.00000
     15       9.6170      0.00000
     16      10.1540      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6467      0.00000
     15       9.0971      0.00000
     16       9.1417      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6467      0.00000
     15       9.0968      0.00000
     16       9.1414      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6465      0.00000
     15       9.0967      0.00000
     16       9.1417      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6465      0.00000
     15       9.0969      0.00000
     16       9.1414      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6465      0.00000
     15       9.0968      0.00000
     16       9.1413      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5180      1.00000
      2      -5.5636      1.00000
      3      -4.1865      1.00000
      4      -2.3416      1.00000
      5       0.0303      1.00000
      6       0.9876      1.00000
      7       1.9930      1.00000
      8       2.9954      0.99200
      9       3.5322     -0.01169
     10       5.1814     -0.00000
     11       5.9287     -0.00000
     12       7.3378     -0.00000
     13       7.9796     -0.00000
     14       8.6466      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8665      0.00000
     16       9.7081      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7134      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7140      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7091      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7080      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4203      1.00000
      2      -3.4620      1.00000
      3      -2.1037      1.00000
      4      -1.9098      1.00000
      5      -1.0227      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2863      1.00000
      9       2.6686      1.00149
     10       4.7508     -0.00000
     11       4.9057     -0.00000
     12       7.0270     -0.00000
     13       7.4965     -0.00000
     14       8.0240     -0.00000
     15       8.8662      0.00000
     16       9.7235      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7490      0.00000
     16      10.0552      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7490      0.00000
     16      10.0474      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4002      1.00000
      2      -7.4539      1.00000
      3      -6.0832      1.00000
      4      -4.2313      1.00000
      5      -1.7453      1.00000
      6       0.9065      1.00000
      7       3.9848     -0.00000
      8       6.0127     -0.00000
      9       6.4850     -0.00000
     10       7.2338     -0.00000
     11       7.3141     -0.00000
     12       7.5139     -0.00000
     13       7.5965     -0.00000
     14       8.3874     -0.00000
     15       8.7490      0.00000
     16      10.0526      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4111     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4112     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4109     -0.00000
     16       8.7505      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4108     -0.00000
     16       8.7502      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4112     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9373      1.00000
      2      -5.9847      1.00000
      3      -4.6081      1.00000
      4      -2.7564      1.00000
      5      -0.2983      1.00000
      6       2.1638      1.00000
      7       3.1220      0.64910
      8       4.1201     -0.00000
      9       5.0886     -0.00000
     10       5.3663     -0.00000
     11       5.9204     -0.00000
     12       6.4988     -0.00000
     13       7.0115     -0.00000
     14       7.7641     -0.00000
     15       8.4109     -0.00000
     16       8.7506      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9169      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8578      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8300      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9169      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8502      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9169      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8620      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9169      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8541      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0513      1.00000
      2      -4.0928      1.00000
      3      -2.7184      1.00000
      4      -0.9168      1.00000
      5      -0.0689      1.00000
      6       0.7409      1.00000
      7       1.7171      1.00000
      8       2.6000      1.00030
      9       4.0691     -0.00000
     10       4.2606     -0.00000
     11       4.8566     -0.00000
     12       5.7456     -0.00000
     13       6.6378     -0.00000
     14       7.4093     -0.00000
     15       7.5513     -0.00000
     16       8.8794      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.6714      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.6678      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7540      1.00000
      2      -2.7369      1.00000
      3      -1.8062      1.00000
      4      -1.7857      1.00000
      5      -0.6686      1.00000
      6      -0.2808      1.00000
      7       1.2237      1.00000
      8       1.9611      1.00000
      9       3.7887     -0.00004
     10       3.9064     -0.00000
     11       4.7190     -0.00000
     12       5.7678     -0.00000
     13       6.3935     -0.00000
     14       6.7650     -0.00000
     15       7.1343     -0.00000
     16       8.6890      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99142
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.6966      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99142
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.6933      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2617      1.00000
      2      -4.3036      1.00000
      3      -2.9264      1.00000
      4      -1.0996      1.00000
      5       1.1628      1.00000
      6       2.0872      1.00000
      7       2.2502      1.00000
      8       2.9960      0.99142
      9       3.4647     -0.02581
     10       4.2370     -0.00000
     11       4.4936     -0.00000
     12       4.8615     -0.00000
     13       6.1968     -0.00000
     14       6.8419     -0.00000
     15       7.2769     -0.00000
     16       8.6961      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41642
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2452     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41642
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2624     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41641
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2558     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41642
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2857     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41642
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2548     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1646      1.00000
      2      -2.2096      1.00000
      3      -0.8673      1.00000
      4      -0.6635      1.00000
      5       0.1998      1.00000
      6       0.8163      1.00000
      7       1.7437      1.00000
      8       1.8308      1.00000
      9       2.5751      1.00015
     10       3.1767      0.41642
     11       4.1394     -0.00000
     12       4.6654     -0.00000
     13       6.0523     -0.00000
     14       6.1488     -0.00000
     15       6.3717     -0.00000
     16       8.2823     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8845      1.00000
      2      -0.8816      1.00000
      3      -0.8551      1.00000
      4      -0.0139      1.00000
      5       0.0825      1.00000
      6       0.0870      1.00000
      7       1.1022      1.00000
      8       1.1065      1.00000
      9       1.7968      1.00000
     10       2.6642      1.00137
     11       4.0801     -0.00000
     12       4.0863     -0.00000
     13       5.9927     -0.00000
     14       6.0025     -0.00000
     15       6.0862     -0.00000
     16       8.0165     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.949 -61.928   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.928  33.076  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068  -0.000  -0.000  -0.321   0.000   0.000
 -0.150   0.071  -0.000   1.702   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.3782: real time    421.4787
    FORNL :  cpu time      0.4988: real time      0.5047
    FORCOR:  cpu time      1.9487: real time      1.9603
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.195E-05 0.125E-05 0.182E+03   0.433E-13 0.262E-13 -.181E+03   -.212E-05 -.123E-05 -.108E+01
   0.445E-06 -.226E-06 0.925E+02   0.175E-14 0.822E-14 -.925E+02   -.585E-06 -.246E-06 -.616E-01
   -.664E-06 -.685E-06 -.281E+00   -.149E-12 -.891E-13 0.264E+00   0.117E-05 0.162E-05 0.229E-01
   0.742E-06 0.152E-05 -.928E+02   0.137E-12 0.794E-13 0.927E+02   -.132E-05 -.178E-05 0.102E+00
   -.606E-05 -.213E-05 -.182E+03   -.433E-13 -.216E-13 0.181E+03   0.667E-05 0.193E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.251E-05 0.477E-06 -.108E-01   -.971E-14 0.313E-14 -.284E-13   0.383E-05 0.300E-06 -.403E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.037117
      0.00000      0.00000      2.36281        -0.000001     -0.000001     -0.002110
      1.42873      0.82488      4.67031        -0.000000      0.000001      0.007613
      2.85746      1.64976      6.98235         0.000000      0.000000      0.017347
      0.00000      0.00000      9.35912         0.000001     -0.000000      0.014266
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000001     -0.015310


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90380938 eV

  energy  without entropy=      -13.89658572  energy(sigma->0) =      -13.90140149
 
 d Force = 0.2234617E-04[ 0.184E-04, 0.263E-04]  d Energy = 0.2307782E-04-0.732E-06
 d Force = 0.6037058E-01[ 0.604E-01, 0.604E-01]  d Ewald  = 0.6037058E-01-0.212E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9503: real time      1.9619


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.273E-04   g(Stress)= 0.000E+00

 retain information from N=  3 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.8672
 eigenvalue spectrum of G is  0.6479  3.1493  1.8046


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2207: real time      1.2678
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0852
    POTLOK:  cpu time      1.9483: real time      1.9609
    EDDIAG:  cpu time    583.3992: real time    588.4254
    CHARGE:  cpu time      0.2651: real time      0.2672
 writing wavefunctions
     LOOP+:  cpu time   5106.4076: real time   5150.5385


--------------------------------------- Iteration     12(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    582.2406: real time    587.3221
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.4741: real time    589.5701

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4355909E-03  (-0.1523378E-02)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0008479 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.54981675
  -exchange      EXHF   =        33.27935001
  -V(xc)+E(xc)   XCENC  =       -83.54477585
  PAW double counting   =    101016.04943487  -100915.09166783
  entropy T*S    EENTRO =        -0.00723271
  eigenvalues    EBANDS =       -34.94990099
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90336850 eV

  energy without entropy =      -13.89613579  energy(sigma->0) =      -13.90095760
  exchange ACFDT corr.  =        -0.00671888  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2307: real time      1.2364
    TRIAL :  cpu time    583.2756: real time    588.2940
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2665: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    585.4993: real time    590.5317

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5668114E-04  (-0.1083841E-02)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0008461 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.19600596
  -exchange      EXHF   =        33.27844753
  -V(xc)+E(xc)   XCENC  =       -83.54511421
  PAW double counting   =    101012.89265602  -100911.93486220
  entropy T*S    EENTRO =        -0.00723149
  eigenvalues    EBANDS =       -35.30245361
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90331182 eV

  energy without entropy =      -13.89608033  energy(sigma->0) =      -13.90090132
  exchange ACFDT corr.  =        -0.00670278  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2317: real time      1.2370
    TRIAL :  cpu time    582.5827: real time    587.6167
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2667: real time      0.2689
    --------------------------------------------
      LOOP:  cpu time    584.8078: real time    589.8554

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4048321E-03  (-0.2768864E-04)
 number of electron      15.0000000 magnetization      -0.0000026
 augmentation part       -0.0008451 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.09809600
  -exchange      EXHF   =        33.27823513
  -V(xc)+E(xc)   XCENC  =       -83.54520190
  PAW double counting   =    101012.74507749  -100911.78730754
  entropy T*S    EENTRO =        -0.00723741
  eigenvalues    EBANDS =       -35.40044566
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90371665 eV

  energy without entropy =      -13.89647924  energy(sigma->0) =      -13.90130418
  exchange ACFDT corr.  =        -0.00670025  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2307: real time      1.2365
    TRIAL :  cpu time    585.4503: real time    590.4857
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    587.6741: real time    592.7237

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1873632E-05  (-0.2316155E-03)
 number of electron      15.0000000 magnetization      -0.0000025
 augmentation part       -0.0008443 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.26710864
  -exchange      EXHF   =        33.27873761
  -V(xc)+E(xc)   XCENC  =       -83.54503037
  PAW double counting   =    101015.70147159  -100914.74369236
  entropy T*S    EENTRO =        -0.00724071
  eigenvalues    EBANDS =       -35.23210853
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90371478 eV

  energy without entropy =      -13.89647406  energy(sigma->0) =      -13.90130120
  exchange ACFDT corr.  =        -0.00670941  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7273
    SETDIJ:  cpu time      1.2323: real time      1.2378
    TRIAL :  cpu time    585.2820: real time    590.3123
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    587.5054: real time    592.5495

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4832778E-05  (-0.1469744E-03)
 number of electron      15.0000000 magnetization      -0.0000024
 augmentation part       -0.0008431 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.36329085
  -exchange      EXHF   =        33.27903254
  -V(xc)+E(xc)   XCENC  =       -83.54492969
  PAW double counting   =    101017.72218786  -100916.76439191
  entropy T*S    EENTRO =        -0.00724074
  eigenvalues    EBANDS =       -35.13633050
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370994 eV

  energy without entropy =      -13.89646921  energy(sigma->0) =      -13.90129636
  exchange ACFDT corr.  =        -0.00671661  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7203: real time      0.7273
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    580.8989: real time    585.9048
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    583.1217: real time    588.1422

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6417888E-04  ( 0.1168116E-05)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0008421 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.29695523
  -exchange      EXHF   =        33.27886085
  -V(xc)+E(xc)   XCENC  =       -83.54499381
  PAW double counting   =    101017.54521335  -100916.58741498
  entropy T*S    EENTRO =        -0.00724023
  eigenvalues    EBANDS =       -35.20249689
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377412 eV

  energy without entropy =      -13.89653389  energy(sigma->0) =      -13.90136071
  exchange ACFDT corr.  =        -0.00671515  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2304: real time      1.2357
    TRIAL :  cpu time    583.4811: real time    588.5592
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2664: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    585.7045: real time    590.7962

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8062168E-05  (-0.3855316E-04)
 number of electron      15.0000000 magnetization      -0.0000023
 augmentation part       -0.0008413 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.23156135
  -exchange      EXHF   =        33.27868925
  -V(xc)+E(xc)   XCENC  =       -83.54505631
  PAW double counting   =    101017.39870400  -100916.44089794
  entropy T*S    EENTRO =        -0.00724176
  eigenvalues    EBANDS =       -35.26765681
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376606 eV

  energy without entropy =      -13.89652430  energy(sigma->0) =      -13.90135214
  exchange ACFDT corr.  =        -0.00671357  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7281
    SETDIJ:  cpu time      1.2301: real time      1.2356
    TRIAL :  cpu time    581.3703: real time    586.4321
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    583.5922: real time    588.6682

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3540437E-05  (-0.1822305E-04)
 number of electron      15.0000000 magnetization      -0.0000022
 augmentation part       -0.0008407 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.24882413
  -exchange      EXHF   =        33.27875011
  -V(xc)+E(xc)   XCENC  =       -83.54503373
  PAW double counting   =    101018.29636073  -100917.33855739
  entropy T*S    EENTRO =        -0.00724410
  eigenvalues    EBANDS =       -35.25047675
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376960 eV

  energy without entropy =      -13.89652550  energy(sigma->0) =      -13.90135490
  exchange ACFDT corr.  =        -0.00671529  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     12(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2280: real time      1.2337
    TRIAL :  cpu time    583.0790: real time    588.1392
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    585.1561: real time    590.1786
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time   1170.4552: real time   1180.5518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8177070E-05  ( 0.2059998E-06)
 number of electron      15.0000000 magnetization      -0.0000021
 augmentation part       -0.0008402 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.32986908
  -Hartree energ DENC   =      -704.28566542
  -exchange      EXHF   =        33.27887619
  -V(xc)+E(xc)   XCENC  =       -83.54499195
  PAW double counting   =    101019.30641368  -100918.34861492
  entropy T*S    EENTRO =        -0.00724511
  eigenvalues    EBANDS =       -35.21379005
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377778 eV

  energy without entropy =      -13.89653267  energy(sigma->0) =      -13.90136274
  exchange ACFDT corr.  =        -0.00671836  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8876


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8952       2 -69.7656       3 -69.7557       4 -69.7689       5 -69.8979
 
 
 
 E-fermi :   3.1567     XC(G=0):  -5.1188     alpha+bet : -8.9779

 Fermi energy:         3.1567009556

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9028      1.00000
      2      -9.9653      1.00000
      3      -8.6072      1.00000
      4      -6.7710      1.00000
      5      -4.3143      1.00000
      6      -1.5814      1.00000
      7       1.6614      1.00000
      8       4.6306     -0.00000
      9       5.4033     -0.00000
     10       7.9252     -0.00000
     11       7.9914     -0.00000
     12      11.8891      0.00000
     13      12.1898      0.00000
     14      16.0490      0.00000
     15      16.1015      0.00000
     16      16.1862      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3714      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8734      0.00000
     16      14.3196      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3714      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8726      0.00000
     16      14.3837      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3714      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8727      0.00000
     16      14.3183      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5038      0.00000
     16      12.7660      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5058      0.00000
     16      12.7972      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5065      0.00000
     16      12.8564      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02917
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6029      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02917
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6085      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02917
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6274      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5144      0.00000
     16      10.8277      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5144      0.00000
     16      10.8274      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5143      0.00000
     16      10.8274      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1945      0.00000
     15       9.7435      0.00000
     16      10.5788      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1944      0.00000
     15       9.7435      0.00000
     16      10.3907      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1944      0.00000
     15       9.7435      0.00000
     16      10.4224      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2202      0.00000
     16      10.5373      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2210      0.00000
     16      10.5431      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2199      0.00000
     16      10.5369      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4290      0.00000
     14      11.8984      0.00000
     15      12.0405      0.00000
     16      12.6580      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4294      0.00000
     14      11.8993      0.00000
     15      12.0401      0.00000
     16      12.6540      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4287      0.00000
     14      11.8992      0.00000
     15      12.0411      0.00000
     16      12.6556      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7345      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1733      0.00000
     16      10.7343      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7344      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7342      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7346      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74578
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7342      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8826      0.00000
     15       9.6184      0.00000
     16      10.1622      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8826      0.00000
     15       9.6182      0.00000
     16      10.0673      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8832      0.00000
     15       9.6210      0.00000
     16      10.2606      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8841      0.00000
     15       9.6188      0.00000
     16      10.2541      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8826      0.00000
     15       9.6175      0.00000
     16      10.0918      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6915     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8845      0.00000
     15       9.8300      0.00000
     16      10.2029      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6471      0.00000
     15       9.0969      0.00000
     16       9.1417      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0967      0.00000
     16       9.1418      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0966      0.00000
     16       9.1417      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0966      0.00000
     16       9.1417      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6471      0.00000
     15       9.0966      0.00000
     16       9.1420      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0969      0.00000
     16       9.1417      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7124      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7244      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8674      0.00000
     16       9.7227      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7091      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7081      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8669      0.00000
     16       9.7261      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7494      0.00000
     16      10.0497      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0581      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0460      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4117     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65350
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7502      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65350
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4118     -0.00000
     16       8.7498      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65350
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4119     -0.00000
     16       8.7497      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65350
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7503      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65350
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8412      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8501      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8356      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8778      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8674      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8781      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.7293      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.7056      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.7015      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99223
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.6936      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99223
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.7031      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99223
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.7059      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41686
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2397     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41686
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0529     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2701     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0529     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2464     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41686
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0529     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2491     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41686
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0529     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2447     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.4175     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8855      1.00000
      2      -0.8820      1.00000
      3      -0.8559      1.00000
      4      -0.0140      1.00000
      5       0.0821      1.00000
      6       0.0876      1.00000
      7       1.1015      1.00000
      8       1.1075      1.00000
      9       1.7970      1.00000
     10       2.6644      1.00136
     11       4.0818     -0.00000
     12       4.0852     -0.00000
     13       5.9939     -0.00000
     14       6.0034     -0.00000
     15       6.0876     -0.00000
     16       8.0164     -0.00000
 Fermi energy:         3.1567009556

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9028      1.00000
      2      -9.9653      1.00000
      3      -8.6072      1.00000
      4      -6.7710      1.00000
      5      -4.3143      1.00000
      6      -1.5814      1.00000
      7       1.6614      1.00000
      8       4.6306     -0.00000
      9       5.4033     -0.00000
     10       7.9252     -0.00000
     11       7.9914     -0.00000
     12      11.8891      0.00000
     13      12.1898      0.00000
     14      16.0537      0.00000
     15      16.1732      0.00000
     16      16.3304      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3715      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8725      0.00000
     16      14.3118      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3715      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8725      0.00000
     16      14.3109      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6945      1.00000
      2      -9.7562      1.00000
      3      -8.3971      1.00000
      4      -6.5592      1.00000
      5      -4.0984      1.00000
      6      -1.3715      1.00000
      7       1.8748      1.00000
      8       4.8135     -0.00000
      9       5.5777     -0.00000
     10       8.0931     -0.00000
     11       8.1564     -0.00000
     12      12.0176      0.00000
     13      12.2834      0.00000
     14      13.1126      0.00000
     15      13.8728      0.00000
     16      14.3157      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5095      0.00000
     16      12.8497      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5041      0.00000
     16      12.7662      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0693      1.00000
      2      -9.1289      1.00000
      3      -7.7666      1.00000
      4      -5.9241      1.00000
      5      -3.4520      1.00000
      6      -0.7429      1.00000
      7       2.4995      1.00002
      8       5.3454     -0.00000
      9       6.0955     -0.00000
     10       8.4764     -0.00000
     11       8.6268      0.00000
     12       9.7202      0.00000
     13      10.2899      0.00000
     14      11.3883      0.00000
     15      12.5064      0.00000
     16      12.8162      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02918
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6047      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02918
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6230      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0267      1.00000
      2      -8.0823      1.00000
      3      -6.7146      1.00000
      4      -4.8656      1.00000
      5      -2.3811      1.00000
      6       0.2936      1.00000
      7       3.4506     -0.02918
      8       5.6403     -0.00000
      9       6.5379     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0747     -0.00000
     13       9.3960      0.00000
     14       9.5759      0.00000
     15       9.8058      0.00000
     16      11.6114      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5137      0.00000
     16      10.8277      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5153      0.00000
     16      10.8301      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5647      1.00000
      2      -6.6140      1.00000
      3      -5.2396      1.00000
      4      -3.3874      1.00000
      5      -0.9166      1.00000
      6       1.5797      1.00000
      7       2.5328      1.00004
      8       3.5461     -0.00957
      9       4.8151     -0.00000
     10       5.1633     -0.00000
     11       6.5088     -0.00000
     12       7.6504     -0.00000
     13       8.2051     -0.00000
     14       8.7271      0.00000
     15      10.5151      0.00000
     16      10.8308      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1944      0.00000
     15       9.7435      0.00000
     16      10.4339      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1944      0.00000
     15       9.7435      0.00000
     16      10.4768      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6797      1.00000
      2      -4.7216      1.00000
      3      -3.3463      1.00000
      4      -1.5343      1.00000
      5      -0.6860      1.00000
      6       0.1392      1.00000
      7       1.1278      1.00000
      8       2.0296      1.00000
      9       3.6382     -0.00176
     10       3.7448     -0.00013
     11       5.9480     -0.00000
     12       6.7377     -0.00000
     13       8.2410     -0.00000
     14       9.1944      0.00000
     15       9.7435      0.00000
     16      10.4747      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2492      0.00000
     16      10.5880      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2205      0.00000
     16      10.5388      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3803      1.00000
      2      -3.3635      1.00000
      3      -2.4195      1.00000
      4      -2.4177      1.00000
      5      -1.2824      1.00000
      6      -0.8932      1.00000
      7       0.6239      1.00000
      8       1.3690      1.00000
      9       3.3987     -0.03541
     10       3.5454     -0.00973
     11       5.6756     -0.00000
     12       6.0247     -0.00000
     13       8.4368     -0.00000
     14       8.8801      0.00000
     15      10.2320      0.00000
     16      10.5372      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4288      0.00000
     14      11.8985      0.00000
     15      12.0411      0.00000
     16      12.6514      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4287      0.00000
     14      11.8990      0.00000
     15      12.0423      0.00000
     16      12.6390      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2777      1.00000
      2      -9.3380      1.00000
      3      -7.9768      1.00000
      4      -6.1358      1.00000
      5      -3.6673      1.00000
      6      -0.9521      1.00000
      7       2.2943      1.00000
      8       5.1727     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4644     -0.00000
     12      11.4126      0.00000
     13      11.4287      0.00000
     14      11.8981      0.00000
     15      12.0510      0.00000
     16      12.7242      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7343      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7344      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7342      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1733      0.00000
     16      10.7343      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7341      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4439      1.00000
      2      -8.5011      1.00000
      3      -7.1356      1.00000
      4      -5.2889      1.00000
      5      -2.8082      1.00000
      6      -0.1179      1.00000
      7       3.0964      0.74579
      8       5.8248     -0.00000
      9       6.5924     -0.00000
     10       7.8429     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4171      0.00000
     14       9.8482      0.00000
     15      10.1734      0.00000
     16      10.7342      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8826      0.00000
     15       9.6172      0.00000
     16      10.0721      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8831      0.00000
     15       9.6182      0.00000
     16      10.1624      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8827      0.00000
     15       9.6171      0.00000
     16      10.1256      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8830      0.00000
     15       9.6174      0.00000
     16      10.1309      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8827      0.00000
     15       9.6197      0.00000
     16      10.2685      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1918      1.00000
      2      -7.2439      1.00000
      3      -5.8721      1.00000
      4      -4.0198      1.00000
      5      -1.5345      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6914     -0.00000
      9       5.4295     -0.00000
     10       6.5178     -0.00000
     11       7.0853     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8825      0.00000
     15       9.6172      0.00000
     16      10.1458      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0969      0.00000
     16       9.1419      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0966      0.00000
     16       9.1418      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0966      0.00000
     16       9.1420      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0967      0.00000
     16       9.1417      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0966      0.00000
     16       9.1417      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5186      1.00000
      2      -5.5634      1.00000
      3      -4.1863      1.00000
      4      -2.3413      1.00000
      5       0.0313      1.00000
      6       0.9870      1.00000
      7       1.9931      1.00000
      8       2.9958      0.99185
      9       3.5325     -0.01174
     10       5.1816     -0.00000
     11       5.9302     -0.00000
     12       7.3387     -0.00000
     13       7.9797     -0.00000
     14       8.6470      0.00000
     15       9.0967      0.00000
     16       9.1417      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8669      0.00000
     16       9.7083      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7129      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7135      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7093      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7082      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4211      1.00000
      2      -3.4619      1.00000
      3      -2.1034      1.00000
      4      -1.9106      1.00000
      5      -1.0227      1.00000
      6      -0.3653      1.00000
      7       0.6466      1.00000
      8       2.2869      1.00000
      9       2.6694      1.00150
     10       4.7517     -0.00000
     11       4.9064     -0.00000
     12       7.0274     -0.00000
     13       7.4970     -0.00000
     14       8.0244     -0.00000
     15       8.8668      0.00000
     16       9.7217      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0545      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0463      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4008      1.00000
      2      -7.4537      1.00000
      3      -6.0829      1.00000
      4      -4.2310      1.00000
      5      -1.7440      1.00000
      6       0.9071      1.00000
      7       3.9864     -0.00000
      8       6.0126     -0.00000
      9       6.4845     -0.00000
     10       7.2337     -0.00000
     11       7.3144     -0.00000
     12       7.5141     -0.00000
     13       7.5965     -0.00000
     14       8.3877     -0.00000
     15       8.7493      0.00000
     16      10.0518      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4117     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4118     -0.00000
     16       8.7498      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7501      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7499      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4118     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9379      1.00000
      2      -5.9846      1.00000
      3      -4.6078      1.00000
      4      -2.7561      1.00000
      5      -0.2971      1.00000
      6       2.1642      1.00000
      7       3.1215      0.65351
      8       4.1202     -0.00000
      9       5.0886     -0.00000
     10       5.3665     -0.00000
     11       5.9208     -0.00000
     12       6.4994     -0.00000
     13       7.0119     -0.00000
     14       7.7645     -0.00000
     15       8.4116     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8579      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8302      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8503      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8619      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8538      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0520      1.00000
      2      -4.0927      1.00000
      3      -2.7181      1.00000
      4      -0.9166      1.00000
      5      -0.0696      1.00000
      6       0.7412      1.00000
      7       1.7178      1.00000
      8       2.6004      1.00030
      9       4.0693     -0.00000
     10       4.2610     -0.00000
     11       4.8562     -0.00000
     12       5.7459     -0.00000
     13       6.6385     -0.00000
     14       7.4098     -0.00000
     15       7.5528     -0.00000
     16       8.8797      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.6701      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.6677      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7547      1.00000
      2      -2.7376      1.00000
      3      -1.8062      1.00000
      4      -1.7856      1.00000
      5      -0.6684      1.00000
      6      -0.2806      1.00000
      7       1.2239      1.00000
      8       1.9614      1.00000
      9       3.7895     -0.00004
     10       3.9071     -0.00000
     11       4.7189     -0.00000
     12       5.7681     -0.00000
     13       6.3938     -0.00000
     14       6.7656     -0.00000
     15       7.1346     -0.00000
     16       8.6846      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99224
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.6968      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99224
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.6938      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2624      1.00000
      2      -4.3035      1.00000
      3      -2.9262      1.00000
      4      -1.0993      1.00000
      5       1.1637      1.00000
      6       2.0866      1.00000
      7       2.2495      1.00000
      8       2.9959      0.99223
      9       3.4649     -0.02590
     10       4.2373     -0.00000
     11       4.4940     -0.00000
     12       4.8618     -0.00000
     13       6.1971     -0.00000
     14       6.8422     -0.00000
     15       7.2786     -0.00000
     16       8.6964      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2448     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2592     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41686
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2535     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2787     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0528     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2527     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1653      1.00000
      2      -2.2096      1.00000
      3      -0.8671      1.00000
      4      -0.6642      1.00000
      5       0.1998      1.00000
      6       0.8165      1.00000
      7       1.7431      1.00000
      8       1.8309      1.00000
      9       2.5753      1.00015
     10       3.1770      0.41687
     11       4.1402     -0.00000
     12       4.6658     -0.00000
     13       6.0529     -0.00000
     14       6.1493     -0.00000
     15       6.3726     -0.00000
     16       8.2757     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8855      1.00000
      2      -0.8820      1.00000
      3      -0.8559      1.00000
      4      -0.0140      1.00000
      5       0.0821      1.00000
      6       0.0876      1.00000
      7       1.1015      1.00000
      8       1.1075      1.00000
      9       1.7970      1.00000
     10       2.6644      1.00136
     11       4.0818     -0.00000
     12       4.0852     -0.00000
     13       5.9939     -0.00000
     14       6.0034     -0.00000
     15       6.0876     -0.00000
     16       8.0170     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.954 -61.931   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.931  33.078  -0.000   0.071  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.150   0.071   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.6274: real time    422.7286
    FORNL :  cpu time      0.4971: real time      0.5031
    FORCOR:  cpu time      1.9479: real time      1.9594
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.328E-05 -.118E-05 0.182E+03   0.431E-13 0.270E-13 -.181E+03   -.372E-05 0.178E-05 -.108E+01
   0.209E-05 0.120E-05 0.926E+02   0.422E-14 0.250E-14 -.925E+02   -.284E-05 -.997E-06 -.598E-01
   0.261E-05 0.529E-06 -.274E+00   -.152E-12 -.865E-13 0.269E+00   -.362E-05 -.168E-05 0.270E-01
   -.395E-06 0.379E-05 -.928E+02   0.142E-12 0.848E-13 0.927E+02   0.158E-06 -.524E-05 0.106E+00
   -.554E-05 0.136E-06 -.182E+03   -.461E-13 -.247E-13 0.181E+03   0.696E-05 -.210E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.514E-05 0.647E-05 0.163E-01   -.971E-14 0.313E-14 0.000E+00   -.306E-05 -.635E-05 0.684E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000001     -0.041075
      0.00000      0.00000      2.36254        -0.000001      0.000001      0.009128
      1.42873      0.82488      4.66960        -0.000001     -0.000001      0.016993
      2.85746      1.64976      6.98133         0.000001     -0.000001      0.014251
      0.00000      0.00000      9.35807         0.000001      0.000000      0.000703
 -----------------------------------------------------------------------------------
    total drift:                                0.000002     -0.000000      0.023839


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90377778 eV

  energy  without entropy=      -13.89653267  energy(sigma->0) =      -13.90136274
 
 d Force =-0.3386946E-04[-0.299E-04,-0.378E-04]  d Energy =-0.3160108E-04-0.227E-05
 d Force =-0.2621360E+00[-0.262E+00,-0.262E+00]  d Ewald  =-0.2621360E+00 0.721E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9491: real time      1.9610


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.278E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.3989
 eigenvalue spectrum of G is  0.3989


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0492
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9495: real time      1.9618
    EDDIAG:  cpu time    585.0640: real time    590.1615
    CHARGE:  cpu time      0.2655: real time      0.2677
 writing wavefunctions
     LOOP+:  cpu time   6865.1750: real time   6924.2049


--------------------------------------- Iteration     13(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7269
    SETDIJ:  cpu time      1.2307: real time      1.2365
    TRIAL :  cpu time    582.7752: real time    587.8181
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2654: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    585.0063: real time    590.0640

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1135426E-02  (-0.4937012E-02)
 number of electron      15.0000000 magnetization      -0.0000016
 augmentation part       -0.0008453 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -703.82327135
  -exchange      EXHF   =        33.27725016
  -V(xc)+E(xc)   XCENC  =       -83.54555165
  PAW double counting   =    101010.29642357  -100909.33855819
  entropy T*S    EENTRO =        -0.00722447
  eigenvalues    EBANDS =       -35.41663129
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90263417 eV

  energy without entropy =      -13.89540971  energy(sigma->0) =      -13.90022602
  exchange ACFDT corr.  =        -0.00668157  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7278
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    581.6236: real time    586.6344
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    583.8476: real time    588.8721

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4328581E-03  (-0.3940794E-02)
 number of electron      15.0000000 magnetization      -0.0000015
 augmentation part       -0.0008478 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.06543056
  -exchange      EXHF   =        33.27780665
  -V(xc)+E(xc)   XCENC  =       -83.54533712
  PAW double counting   =    101011.16591083  -100910.20805388
  entropy T*S    EENTRO =        -0.00722729
  eigenvalues    EBANDS =       -35.17479247
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220132 eV

  energy without entropy =      -13.89497403  energy(sigma->0) =      -13.89979222
  exchange ACFDT corr.  =        -0.00669309  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2310: real time      1.2364
    TRIAL :  cpu time    582.8657: real time    587.9300
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2667: real time      0.2693
    --------------------------------------------
      LOOP:  cpu time    585.0894: real time    590.1679

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1493319E-02  ( 0.5319486E-04)
 number of electron      15.0000000 magnetization      -0.0000014
 augmentation part       -0.0008502 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.13977139
  -exchange      EXHF   =        33.27796557
  -V(xc)+E(xc)   XCENC  =       -83.54527534
  PAW double counting   =    101010.16169412  -100909.20386143
  entropy T*S    EENTRO =        -0.00722206
  eigenvalues    EBANDS =       -35.10213858
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90369463 eV

  energy without entropy =      -13.89647257  energy(sigma->0) =      -13.90128728
  exchange ACFDT corr.  =        -0.00669694  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7274
    SETDIJ:  cpu time      1.2317: real time      1.2375
    TRIAL :  cpu time    585.6084: real time    590.7346
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2659: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    587.8317: real time    592.9722

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8677089E-04  (-0.8153575E-03)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0008518 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.02131302
  -exchange      EXHF   =        33.27759496
  -V(xc)+E(xc)   XCENC  =       -83.54540623
  PAW double counting   =    101006.41694469  -100905.45911324
  entropy T*S    EENTRO =        -0.00721930
  eigenvalues    EBANDS =       -35.22001267
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90360786 eV

  energy without entropy =      -13.89638856  energy(sigma->0) =      -13.90120143
  exchange ACFDT corr.  =        -0.00668888  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2305: real time      1.2361
    TRIAL :  cpu time    584.6469: real time    589.7251
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    586.8699: real time    591.9620

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9961484E-05  (-0.4976839E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0008526 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -703.94931804
  -exchange      EXHF   =        33.27736134
  -V(xc)+E(xc)   XCENC  =       -83.54548322
  PAW double counting   =    101003.97086325  -100903.01301587
  entropy T*S    EENTRO =        -0.00721963
  eigenvalues    EBANDS =       -35.29170576
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90359790 eV

  energy without entropy =      -13.89637827  energy(sigma->0) =      -13.90119136
  exchange ACFDT corr.  =        -0.00668456  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7280
    SETDIJ:  cpu time      1.2294: real time      1.2348
    TRIAL :  cpu time    584.3058: real time    589.4112
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2667: real time      0.2689
    --------------------------------------------
      LOOP:  cpu time    586.5278: real time    591.6474

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2091765E-03  ( 0.1427539E-04)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008525 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -703.99919492
  -exchange      EXHF   =        33.27749875
  -V(xc)+E(xc)   XCENC  =       -83.54543101
  PAW double counting   =    101004.49619797  -100903.53835226
  entropy T*S    EENTRO =        -0.00721995
  eigenvalues    EBANDS =       -35.24222568
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90380708 eV

  energy without entropy =      -13.89658713  energy(sigma->0) =      -13.90140043
  exchange ACFDT corr.  =        -0.00668551  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2284: real time      1.2342
    TRIAL :  cpu time    581.5104: real time    586.5835
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2664: real time      0.2690
    --------------------------------------------
      LOOP:  cpu time    583.7316: real time    588.8192

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2835905E-04  (-0.1326292E-03)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008520 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.04634299
  -exchange      EXHF   =        33.27762650
  -V(xc)+E(xc)   XCENC  =       -83.54538148
  PAW double counting   =    101005.71629340  -100904.75843440
  entropy T*S    EENTRO =        -0.00721896
  eigenvalues    EBANDS =       -35.19523950
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90377872 eV

  energy without entropy =      -13.89655976  energy(sigma->0) =      -13.90137240
  exchange ACFDT corr.  =        -0.00668621  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2306: real time      1.2364
    TRIAL :  cpu time    581.4196: real time    586.4769
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2665: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    583.6423: real time    588.7137

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8592746E-05  (-0.5999787E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0008513 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.03215320
  -exchange      EXHF   =        33.27757705
  -V(xc)+E(xc)   XCENC  =       -83.54539583
  PAW double counting   =    101006.38893837  -100905.43106653
  entropy T*S    EENTRO =        -0.00721711
  eigenvalues    EBANDS =       -35.20938791
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90378731 eV

  energy without entropy =      -13.89657021  energy(sigma->0) =      -13.90138161
  exchange ACFDT corr.  =        -0.00668396  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2310: real time      1.2368
    TRIAL :  cpu time    585.9438: real time    590.9969
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2651: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    588.1669: real time    593.2341

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2754274E-04  ( 0.1439996E-05)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0008507 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.00656113
  -exchange      EXHF   =        33.27750086
  -V(xc)+E(xc)   XCENC  =       -83.54542292
  PAW double counting   =    101007.16240466  -100906.20453656
  entropy T*S    EENTRO =        -0.00721622
  eigenvalues    EBANDS =       -35.23490237
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381485 eV

  energy without entropy =      -13.89659863  energy(sigma->0) =      -13.90140945
  exchange ACFDT corr.  =        -0.00668135  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2309: real time      1.2364
    TRIAL :  cpu time    581.6458: real time    586.6811
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2665: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    583.8699: real time    588.9189

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5521040E-05  (-0.2121109E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008502 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.00552081
  -exchange      EXHF   =        33.27749159
  -V(xc)+E(xc)   XCENC  =       -83.54542559
  PAW double counting   =    101008.12993414  -100907.17206944
  entropy T*S    EENTRO =        -0.00721609
  eigenvalues    EBANDS =       -35.23592270
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90380933 eV

  energy without entropy =      -13.89659325  energy(sigma->0) =      -13.90140397
  exchange ACFDT corr.  =        -0.00668073  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     13(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7281
    SETDIJ:  cpu time      1.2319: real time      1.2374
    TRIAL :  cpu time    586.1959: real time    591.2586
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    583.8382: real time    588.8674
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time   1172.2591: real time   1182.3648

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2715795E-05  (-0.6869067E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008498 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.07353546
  -Hartree energ DENC   =      -704.01763581
  -exchange      EXHF   =        33.27752402
  -V(xc)+E(xc)   XCENC  =       -83.54541565
  PAW double counting   =    101009.08016245  -100908.12229867
  entropy T*S    EENTRO =        -0.00721551
  eigenvalues    EBANDS =       -35.22384440
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381205 eV

  energy without entropy =      -13.89659654  energy(sigma->0) =      -13.90140688
  exchange ACFDT corr.  =        -0.00668033  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9477


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9061       2 -69.7760       3 -69.7590       4 -69.7620       5 -69.8858
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1190     alpha+bet : -8.9779

 Fermi energy:         3.1568693380

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9658      1.00000
      3      -8.6077      1.00000
      4      -6.7713      1.00000
      5      -4.3158      1.00000
      6      -1.5823      1.00000
      7       1.6593      1.00000
      8       4.6298     -0.00000
      9       5.4041     -0.00000
     10       7.9257     -0.00000
     11       7.9911     -0.00000
     12      11.8892      0.00000
     13      12.1894      0.00000
     14      16.0478      0.00000
     15      16.0862      0.00000
     16      16.1562      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8721      0.00000
     16      14.3150      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.3571      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.3144      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5036      0.00000
     16      12.7650      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5052      0.00000
     16      12.7934      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5059      0.00000
     16      12.8493      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6015      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6065      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6236      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5142      0.00000
     16      10.8268      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5142      0.00000
     16      10.8265      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5141      0.00000
     16      10.8268      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.5558      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.3886      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.4107      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6240      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2189      0.00000
     16      10.5363      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6240      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2195      0.00000
     16      10.5383      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6240      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2190      0.00000
     16      10.5360      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4281      0.00000
     14      11.8979      0.00000
     15      12.0396      0.00000
     16      12.6540      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4284      0.00000
     14      11.8985      0.00000
     15      12.0396      0.00000
     16      12.6485      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4279      0.00000
     14      11.8984      0.00000
     15      12.0403      0.00000
     16      12.6534      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7341      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7339      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7342      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8821      0.00000
     15       9.6171      0.00000
     16      10.1467      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8820      0.00000
     15       9.6168      0.00000
     16      10.0604      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8824      0.00000
     15       9.6185      0.00000
     16      10.2575      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8829      0.00000
     15       9.6173      0.00000
     16      10.2504      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8820      0.00000
     15       9.6165      0.00000
     16      10.0789      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8829      0.00000
     15       9.7581      0.00000
     16      10.1845      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0973      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0973      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7102      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7204      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8661      0.00000
     16       9.7160      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7076      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7070      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7175      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0480      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0574      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0463      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64941
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7502      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64941
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7507      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4113     -0.00000
     16       8.7503      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64941
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4113     -0.00000
     16       8.7503      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7507      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64941
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7501      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8392      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8494      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8346      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8763      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8657      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8765      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.7140      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.6955      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.6922      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.6921      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.7003      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.7027      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2384     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2616     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2440     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2453     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2425     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.4105     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8872      1.00000
      2      -0.8820      1.00000
      3      -0.8565      1.00000
      4      -0.0143      1.00000
      5       0.0802      1.00000
      6       0.0884      1.00000
      7       1.0987      1.00000
      8       1.1093      1.00000
      9       1.7970      1.00000
     10       2.6645      1.00137
     11       4.0804     -0.00000
     12       4.0861     -0.00000
     13       5.9939     -0.00000
     14       6.0013     -0.00000
     15       6.0855     -0.00000
     16       8.0162     -0.00000
 Fermi energy:         3.1568693380

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9038      1.00000
      2      -9.9658      1.00000
      3      -8.6077      1.00000
      4      -6.7713      1.00000
      5      -4.3158      1.00000
      6      -1.5823      1.00000
      7       1.6593      1.00000
      8       4.6298     -0.00000
      9       5.4041     -0.00000
     10       7.9257     -0.00000
     11       7.9911     -0.00000
     12      11.8892      0.00000
     13      12.1894      0.00000
     14      16.0521      0.00000
     15      16.1390      0.00000
     16      16.2949      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.3104      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8720      0.00000
     16      14.3098      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6954      1.00000
      2      -9.7568      1.00000
      3      -8.3976      1.00000
      4      -6.5595      1.00000
      5      -4.0999      1.00000
      6      -1.3724      1.00000
      7       1.8726      1.00000
      8       4.8128     -0.00000
      9       5.5784     -0.00000
     10       8.0935     -0.00000
     11       8.1560     -0.00000
     12      12.0177      0.00000
     13      12.2832      0.00000
     14      13.1116      0.00000
     15      13.8722      0.00000
     16      14.3128      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5084      0.00000
     16      12.8422      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5038      0.00000
     16      12.7653      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0702      1.00000
      2      -9.1294      1.00000
      3      -7.7671      1.00000
      4      -5.9244      1.00000
      5      -3.4536      1.00000
      6      -0.7438      1.00000
      7       2.4974      1.00002
      8       5.3447     -0.00000
      9       6.0962     -0.00000
     10       8.4765     -0.00000
     11       8.6268      0.00000
     12       9.7192      0.00000
     13      10.2896      0.00000
     14      11.3879      0.00000
     15      12.5057      0.00000
     16      12.8110      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6031      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6196      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0276      1.00000
      2      -8.0828      1.00000
      3      -6.7151      1.00000
      4      -4.8659      1.00000
      5      -2.3826      1.00000
      6       0.2927      1.00000
      7       3.4487     -0.02941
      8       5.6396     -0.00000
      9       6.5376     -0.00000
     10       6.8848     -0.00000
     11       7.0426     -0.00000
     12       8.0743     -0.00000
     13       9.3963      0.00000
     14       9.5757      0.00000
     15       9.8055      0.00000
     16      11.6091      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5137      0.00000
     16      10.8269      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5149      0.00000
     16      10.8293      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5656      1.00000
      2      -6.6145      1.00000
      3      -5.2401      1.00000
      4      -3.3876      1.00000
      5      -0.9181      1.00000
      6       1.5789      1.00000
      7       2.5323      1.00005
      8       3.5456     -0.00957
      9       4.8147     -0.00000
     10       5.1614     -0.00000
     11       6.5087     -0.00000
     12       7.6499     -0.00000
     13       8.2058     -0.00000
     14       8.7257      0.00000
     15      10.5147      0.00000
     16      10.8295      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.4189      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.4524      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6805      1.00000
      2      -4.7221      1.00000
      3      -3.3467      1.00000
      4      -1.5345      1.00000
      5      -0.6868      1.00000
      6       0.1386      1.00000
      7       1.1270      1.00000
      8       2.0290      1.00000
      9       3.6381     -0.00175
     10       3.7439     -0.00013
     11       5.9467     -0.00000
     12       6.7360     -0.00000
     13       8.2402     -0.00000
     14       9.1940      0.00000
     15       9.7442      0.00000
     16      10.4514      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6240      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2293      0.00000
     16      10.5521      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6239      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2189      0.00000
     16      10.5371      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3812      1.00000
      2      -3.3642      1.00000
      3      -2.4202      1.00000
      4      -2.4180      1.00000
      5      -1.2829      1.00000
      6      -0.8935      1.00000
      7       0.6240      1.00000
      8       1.3688      1.00000
      9       3.3978     -0.03539
     10       3.5436     -0.00984
     11       5.6751     -0.00000
     12       6.0237     -0.00000
     13       8.4351     -0.00000
     14       8.8789      0.00000
     15      10.2209      0.00000
     16      10.5362      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4279      0.00000
     14      11.8980      0.00000
     15      12.0401      0.00000
     16      12.6476      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4279      0.00000
     14      11.8983      0.00000
     15      12.0404      0.00000
     16      12.6362      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2786      1.00000
      2      -9.3386      1.00000
      3      -7.9773      1.00000
      4      -6.1361      1.00000
      5      -3.6688      1.00000
      6      -0.9530      1.00000
      7       2.2922      1.00000
      8       5.1720     -0.00000
      9       5.9251     -0.00000
     10       8.4179     -0.00000
     11       8.4640     -0.00000
     12      11.4117      0.00000
     13      11.4280      0.00000
     14      11.8978      0.00000
     15      12.0475      0.00000
     16      12.7176      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7341      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7339      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4448      1.00000
      2      -8.5016      1.00000
      3      -7.1361      1.00000
      4      -5.2892      1.00000
      5      -2.8097      1.00000
      6      -0.1188      1.00000
      7       3.0944      0.75024
      8       5.8242     -0.00000
      9       6.5931     -0.00000
     10       7.8425     -0.00000
     11       8.6093     -0.00000
     12       8.9983      0.00000
     13       9.4170      0.00000
     14       9.8477      0.00000
     15      10.1724      0.00000
     16      10.7338      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8820      0.00000
     15       9.6164      0.00000
     16      10.0649      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8823      0.00000
     15       9.6169      0.00000
     16      10.1464      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8821      0.00000
     15       9.6164      0.00000
     16      10.1080      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8822      0.00000
     15       9.6165      0.00000
     16      10.1123      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8821      0.00000
     15       9.6180      0.00000
     16      10.2667      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1927      1.00000
      2      -7.2444      1.00000
      3      -5.8726      1.00000
      4      -4.0200      1.00000
      5      -1.5360      1.00000
      6       1.0978      1.00000
      7       3.8162     -0.00002
      8       4.6905     -0.00000
      9       5.4287     -0.00000
     10       6.5172     -0.00000
     11       7.0848     -0.00000
     12       7.6894     -0.00000
     13       8.1692     -0.00000
     14       8.8820      0.00000
     15       9.6164      0.00000
     16      10.1337      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0973      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0972      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0971      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5195      1.00000
      2      -5.5639      1.00000
      3      -4.1867      1.00000
      4      -2.3415      1.00000
      5       0.0299      1.00000
      6       0.9863      1.00000
      7       1.9928      1.00000
      8       2.9952      0.99209
      9       3.5320     -0.01173
     10       5.1814     -0.00000
     11       5.9286     -0.00000
     12       7.3374     -0.00000
     13       7.9790     -0.00000
     14       8.6465      0.00000
     15       9.0972      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7071      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7108      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7111      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7078      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7071      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4219      1.00000
      2      -3.4624      1.00000
      3      -2.1039      1.00000
      4      -1.9113      1.00000
      5      -1.0231      1.00000
      6      -0.3655      1.00000
      7       0.6464      1.00000
      8       2.2865      1.00000
      9       2.6683      1.00149
     10       4.7504     -0.00000
     11       4.9056     -0.00000
     12       7.0266     -0.00000
     13       7.4960     -0.00000
     14       8.0236     -0.00000
     15       8.8658      0.00000
     16       9.7179      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0532      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0454      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4017      1.00000
      2      -7.4542      1.00000
      3      -6.0834      1.00000
      4      -4.2312      1.00000
      5      -1.7455      1.00000
      6       0.9063      1.00000
      7       3.9847     -0.00000
      8       6.0119     -0.00000
      9       6.4840     -0.00000
     10       7.2334     -0.00000
     11       7.3136     -0.00000
     12       7.5136     -0.00000
     13       7.5969     -0.00000
     14       8.3874     -0.00000
     15       8.7488      0.00000
     16      10.0510      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7501      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7503      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7505      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7504      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4113     -0.00000
     16       8.7501      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9388      1.00000
      2      -5.9851      1.00000
      3      -4.6083      1.00000
      4      -2.7563      1.00000
      5      -0.2985      1.00000
      6       2.1634      1.00000
      7       3.1209      0.64942
      8       4.1197     -0.00000
      9       5.0877     -0.00000
     10       5.3660     -0.00000
     11       5.9198     -0.00000
     12       6.4987     -0.00000
     13       7.0114     -0.00000
     14       7.7640     -0.00000
     15       8.4112     -0.00000
     16       8.7507      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8559      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8289      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8496      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8608      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8531      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0528      1.00000
      2      -4.0932      1.00000
      3      -2.7186      1.00000
      4      -0.9168      1.00000
      5      -0.0704      1.00000
      6       0.7405      1.00000
      7       1.7170      1.00000
      8       2.5998      1.00029
      9       4.0690     -0.00000
     10       4.2602     -0.00000
     11       4.8556     -0.00000
     12       5.7453     -0.00000
     13       6.6379     -0.00000
     14       7.4091     -0.00000
     15       7.5510     -0.00000
     16       8.8781      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.6682      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.6669      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7556      1.00000
      2      -2.7383      1.00000
      3      -1.8066      1.00000
      4      -1.7861      1.00000
      5      -0.6689      1.00000
      6      -0.2809      1.00000
      7       1.2239      1.00000
      8       1.9612      1.00000
      9       3.7884     -0.00004
     10       3.9057     -0.00000
     11       4.7180     -0.00000
     12       5.7677     -0.00000
     13       6.3935     -0.00000
     14       6.7646     -0.00000
     15       7.1340     -0.00000
     16       8.6790      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.6947      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.6922      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2632      1.00000
      2      -4.3040      1.00000
      3      -2.9266      1.00000
      4      -1.0995      1.00000
      5       1.1624      1.00000
      6       2.0857      1.00000
      7       2.2491      1.00000
      8       2.9956      0.99185
      9       3.4645     -0.02591
     10       4.2369     -0.00000
     11       4.4931     -0.00000
     12       4.8614     -0.00000
     13       6.1970     -0.00000
     14       6.8418     -0.00000
     15       7.2769     -0.00000
     16       8.6945      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41659
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2427     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41659
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2531     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2487     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41658
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2690     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41659
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2482     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1661      1.00000
      2      -2.2100      1.00000
      3      -0.8675      1.00000
      4      -0.6650      1.00000
      5       0.1994      1.00000
      6       0.8163      1.00000
      7       1.7423      1.00000
      8       1.8306      1.00000
      9       2.5748      1.00015
     10       3.1768      0.41659
     11       4.1392     -0.00000
     12       4.6653     -0.00000
     13       6.0524     -0.00000
     14       6.1486     -0.00000
     15       6.3714     -0.00000
     16       8.2662     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8872      1.00000
      2      -0.8820      1.00000
      3      -0.8565      1.00000
      4      -0.0143      1.00000
      5       0.0802      1.00000
      6       0.0884      1.00000
      7       1.0987      1.00000
      8       1.1093      1.00000
      9       1.7970      1.00000
     10       2.6645      1.00137
     11       4.0804     -0.00000
     12       4.0861     -0.00000
     13       5.9939     -0.00000
     14       6.0013     -0.00000
     15       6.0855     -0.00000
     16       8.0167     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.953 -61.931   0.000  -0.150   0.000   0.000  -0.011  -0.000
-61.931  33.078  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.150   0.071   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
  0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.4167: real time    421.5228
    FORNL :  cpu time      0.4990: real time      0.5054
    FORCOR:  cpu time      1.9508: real time      1.9628
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.120E-05 -.282E-05 0.182E+03   0.402E-13 0.244E-13 -.181E+03   -.127E-05 0.276E-05 -.108E+01
   0.332E-05 0.292E-05 0.925E+02   0.782E-14 0.104E-13 -.925E+02   -.435E-05 -.241E-05 -.593E-01
   0.809E-05 0.107E-05 -.267E+00   -.147E-12 -.882E-13 0.254E+00   -.976E-05 -.126E-05 0.234E-01
   0.310E-05 0.347E-05 -.928E+02   0.132E-12 0.843E-13 0.927E+02   -.410E-05 -.305E-05 0.101E+00
   0.469E-06 -.408E-05 -.182E+03   -.419E-13 -.278E-13 0.181E+03   -.491E-06 0.440E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.174E-04 0.695E-06 -.196E-02   -.971E-14 0.313E-14 0.568E-13   -.200E-04 0.438E-06 0.522E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.036099
      0.00000      0.00000      2.36284        -0.000001      0.000000      0.006311
      1.42873      0.82488      4.67055        -0.000001     -0.000001      0.010080
      2.85746      1.64976      6.98262         0.000001      0.000001      0.011825
      0.00000      0.00000      9.35897         0.000001      0.000000      0.007884
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003      0.000001     -0.001435


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90381205 eV

  energy  without entropy=      -13.89659654  energy(sigma->0) =      -13.90140688
 
 d Force = 0.3591540E-04[ 0.339E-04, 0.379E-04]  d Energy = 0.3427292E-04 0.164E-05
 d Force = 0.2563336E+00[ 0.256E+00, 0.256E+00]  d Ewald  = 0.2563336E+00-0.145E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9529: real time      1.9646


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.166E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.3885
 eigenvalue spectrum of G is  0.2577  6.5193


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0865
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0849
    POTLOK:  cpu time      1.9534: real time      1.9657
    EDDIAG:  cpu time    578.9165: real time    583.9769
    CHARGE:  cpu time      0.2658: real time      0.2680
 writing wavefunctions
     LOOP+:  cpu time   8031.8303: real time   8101.3271


--------------------------------------- Iteration     14(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7277
    SETDIJ:  cpu time      1.2325: real time      1.2380
    TRIAL :  cpu time    584.1522: real time    589.2034
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    586.3864: real time    591.4523

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4507076E-04  (-0.4634507E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008580 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.74820173
  -Hartree energ DENC   =      -703.64593459
  -exchange      EXHF   =        33.27595281
  -V(xc)+E(xc)   XCENC  =       -83.54592298
  PAW double counting   =    100999.05730295  -100898.09931083
  entropy T*S    EENTRO =        -0.00719631
  eigenvalues    EBANDS =       -35.26824442
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376426 eV

  energy without entropy =      -13.89656795  energy(sigma->0) =      -13.90136549
  exchange ACFDT corr.  =        -0.00663947  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2317: real time      1.2371
    TRIAL :  cpu time    578.4149: real time    583.3832
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    580.6396: real time    585.6217

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3450978E-04  (-0.3853640E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008597 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.74820173
  -Hartree energ DENC   =      -703.72201098
  -exchange      EXHF   =        33.27599154
  -V(xc)+E(xc)   XCENC  =       -83.54589981
  PAW double counting   =    100999.29962311  -100898.34166901
  entropy T*S    EENTRO =        -0.00719628
  eigenvalues    EBANDS =       -35.19222329
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379877 eV

  energy without entropy =      -13.89660250  energy(sigma->0) =      -13.90140001
  exchange ACFDT corr.  =        -0.00664448  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7269
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    580.8595: real time    585.8649
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    583.0818: real time    588.1008

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3076217E-04  (-0.2680296E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008625 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.74820173
  -Hartree energ DENC   =      -703.73120174
  -exchange      EXHF   =        33.27584188
  -V(xc)+E(xc)   XCENC  =       -83.54594408
  PAW double counting   =    100997.95351993  -100896.99559725
  entropy T*S    EENTRO =        -0.00719317
  eigenvalues    EBANDS =       -35.18283798
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90382953 eV

  energy without entropy =      -13.89663637  energy(sigma->0) =      -13.90143181
  exchange ACFDT corr.  =        -0.00664034  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2316: real time      1.2372
    TRIAL :  cpu time    584.9742: real time    590.0317
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    587.1980: real time    592.2694

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2026635E-04  (-0.1226260E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008650 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.74820173
  -Hartree energ DENC   =      -703.68463927
  -exchange      EXHF   =        33.27561330
  -V(xc)+E(xc)   XCENC  =       -83.54602248
  PAW double counting   =    100995.26681650  -100894.30886028
  entropy T*S    EENTRO =        -0.00719029
  eigenvalues    EBANDS =       -35.22915037
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384980 eV

  energy without entropy =      -13.89665951  energy(sigma->0) =      -13.90145304
  exchange ACFDT corr.  =        -0.00663535  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     14(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2318: real time      1.2371
    TRIAL :  cpu time    582.1156: real time    587.1657
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    577.8348: real time    582.8567
    CHARGE:  cpu time      0.2654: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time   1162.1741: real time   1172.2597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8736650E-05  (-0.6061300E-05)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008663 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.74820173
  -Hartree energ DENC   =      -703.66431207
  -exchange      EXHF   =        33.27558921
  -V(xc)+E(xc)   XCENC  =       -83.54605163
  PAW double counting   =    100993.58296555  -100892.62502712
  entropy T*S    EENTRO =        -0.00718871
  eigenvalues    EBANDS =       -35.24935592
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385854 eV

  energy without entropy =      -13.89666982  energy(sigma->0) =      -13.90146230
  exchange ACFDT corr.  =        -0.00663167  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0863


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8948       2 -69.7714       3 -69.7645       4 -69.7741       5 -69.8959
 
 
 
 E-fermi :   3.1571     XC(G=0):  -5.1194     alpha+bet : -8.9779

 Fermi energy:         3.1570619589

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9060      1.00000
      2      -9.9674      1.00000
      3      -8.6091      1.00000
      4      -6.7728      1.00000
      5      -4.3183      1.00000
      6      -1.5841      1.00000
      7       1.6560      1.00000
      8       4.6287     -0.00000
      9       5.4061     -0.00000
     10       7.9267     -0.00000
     11       7.9909     -0.00000
     12      11.8896      0.00000
     13      12.1890      0.00000
     14      16.0452      0.00000
     15      16.0795      0.00000
     16      16.1428      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8708      0.00000
     16      14.3121      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8705      0.00000
     16      14.3495      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8705      0.00000
     16      14.3114      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5035      0.00000
     16      12.7638      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5050      0.00000
     16      12.7908      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5059      0.00000
     16      12.8459      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.5993      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.6040      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.6205      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5145      0.00000
     16      10.8264      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5145      0.00000
     16      10.8261      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5144      0.00000
     16      10.8266      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7463      0.00000
     16      10.5446      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7463      0.00000
     16      10.3863      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7463      0.00000
     16      10.4060      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2169      0.00000
     16      10.5352      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2170      0.00000
     16      10.5367      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2168      0.00000
     16      10.5349      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4263      0.00000
     14      11.8965      0.00000
     15      12.0389      0.00000
     16      12.6523      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4265      0.00000
     14      11.8970      0.00000
     15      12.0387      0.00000
     16      12.6463      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4262      0.00000
     14      11.8970      0.00000
     15      12.0391      0.00000
     16      12.6506      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75625
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75625
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7324      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75625
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7326      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75625
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7324      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6151      0.00000
     16      10.1384      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6149      0.00000
     16      10.0568      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8809      0.00000
     15       9.6163      0.00000
     16      10.2562      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8812      0.00000
     15       9.6154      0.00000
     16      10.2488      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6147      0.00000
     16      10.0736      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8814      0.00000
     15       9.7310      0.00000
     16      10.1769      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0992      0.00000
     16       9.1390      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0992      0.00000
     16       9.1390      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7085      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7176      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8640      0.00000
     16       9.7131      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7061      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7056      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7483     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7147      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0476      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0579      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0471      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7520      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7524      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7522      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7521      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4102     -0.00000
     16       8.7525      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4102     -0.00000
     16       8.7520      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8375      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8468      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8327      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8745      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8646      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8754      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.7076      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.6907      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.6879      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2473      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.6904      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2472      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.6982      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2473      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.7005      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2366     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2584     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2419     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2432     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2406     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.4072     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8882      1.00000
      2      -0.8851      1.00000
      3      -0.8583      1.00000
      4      -0.0161      1.00000
      5       0.0806      1.00000
      6       0.0856      1.00000
      7       1.0995      1.00000
      8       1.1051      1.00000
      9       1.7965      1.00000
     10       2.6639      1.00138
     11       4.0807     -0.00000
     12       4.0830     -0.00000
     13       5.9917     -0.00000
     14       6.0000     -0.00000
     15       6.0819     -0.00000
     16       8.0151     -0.00000
 Fermi energy:         3.1570619589

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9060      1.00000
      2      -9.9674      1.00000
      3      -8.6091      1.00000
      4      -6.7728      1.00000
      5      -4.3183      1.00000
      6      -1.5841      1.00000
      7       1.6560      1.00000
      8       4.6287     -0.00000
      9       5.4061     -0.00000
     10       7.9267     -0.00000
     11       7.9909     -0.00000
     12      11.8896      0.00000
     13      12.1890      0.00000
     14      16.0497      0.00000
     15      16.1217      0.00000
     16      16.2791      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8705      0.00000
     16      14.3079      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8705      0.00000
     16      14.3074      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6976      1.00000
      2      -9.7583      1.00000
      3      -8.3990      1.00000
      4      -6.5610      1.00000
      5      -4.1024      1.00000
      6      -1.3741      1.00000
      7       1.8693      1.00000
      8       4.8117     -0.00000
      9       5.5805     -0.00000
     10       8.0946     -0.00000
     11       8.1558     -0.00000
     12      12.0182      0.00000
     13      12.2828      0.00000
     14      13.1092      0.00000
     15      13.8706      0.00000
     16      14.3100      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5082      0.00000
     16      12.8385      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5037      0.00000
     16      12.7643      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0724      1.00000
      2      -9.1309      1.00000
      3      -7.7684      1.00000
      4      -5.9259      1.00000
      5      -3.4561      1.00000
      6      -0.7455      1.00000
      7       2.4942      1.00002
      8       5.3436     -0.00000
      9       6.0983     -0.00000
     10       8.4768     -0.00000
     11       8.6272      0.00000
     12       9.7171      0.00000
     13      10.2884      0.00000
     14      11.3866      0.00000
     15      12.5056      0.00000
     16      12.8079      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.6008      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.6168      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0297      1.00000
      2      -8.0843      1.00000
      3      -6.7164      1.00000
      4      -4.8673      1.00000
      5      -2.3851      1.00000
      6       0.2910      1.00000
      7       3.4458     -0.02973
      8       5.6381     -0.00000
      9       6.5370     -0.00000
     10       6.8831     -0.00000
     11       7.0441     -0.00000
     12       8.0731     -0.00000
     13       9.3967      0.00000
     14       9.5753      0.00000
     15       9.8047      0.00000
     16      11.6066      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5141      0.00000
     16      10.8267      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5152      0.00000
     16      10.8291      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5677      1.00000
      2      -6.6160      1.00000
      3      -5.2414      1.00000
      4      -3.3891      1.00000
      5      -0.9205      1.00000
      6       1.5771      1.00000
      7       2.5306      1.00005
      8       3.5443     -0.00948
      9       4.8136     -0.00000
     10       5.1583     -0.00000
     11       6.5073     -0.00000
     12       7.6489     -0.00000
     13       8.2078     -0.00000
     14       8.7234      0.00000
     15      10.5150      0.00000
     16      10.8293      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7462      0.00000
     16      10.4135      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7463      0.00000
     16      10.4443      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6825      1.00000
      2      -4.7235      1.00000
      3      -3.3480      1.00000
      4      -1.5359      1.00000
      5      -0.6888      1.00000
      6       0.1370      1.00000
      7       1.1254      1.00000
      8       2.0275      1.00000
      9       3.6369     -0.00174
     10       3.7420     -0.00013
     11       5.9445     -0.00000
     12       6.7334     -0.00000
     13       8.2386     -0.00000
     14       9.1932      0.00000
     15       9.7463      0.00000
     16      10.4435      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2226      0.00000
     16      10.5473      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2169      0.00000
     16      10.5359      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3831      1.00000
      2      -3.3662      1.00000
      3      -2.4213      1.00000
      4      -2.4198      1.00000
      5      -1.2845      1.00000
      6      -0.8945      1.00000
      7       0.6229      1.00000
      8       1.3673      1.00000
      9       3.3960     -0.03536
     10       3.5407     -0.00998
     11       5.6739     -0.00000
     12       6.0219     -0.00000
     13       8.4325     -0.00000
     14       8.8767      0.00000
     15      10.2187      0.00000
     16      10.5351      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4262      0.00000
     14      11.8966      0.00000
     15      12.0391      0.00000
     16      12.6454      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4262      0.00000
     14      11.8968      0.00000
     15      12.0398      0.00000
     16      12.6355      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2808      1.00000
      2      -9.3401      1.00000
      3      -7.9787      1.00000
      4      -6.1376      1.00000
      5      -3.6713      1.00000
      6      -0.9548      1.00000
      7       2.2889      1.00000
      8       5.1709     -0.00000
      9       5.9272     -0.00000
     10       8.4189     -0.00000
     11       8.4638     -0.00000
     12      11.4097      0.00000
     13      11.4262      0.00000
     14      11.8964      0.00000
     15      12.0458      0.00000
     16      12.7161      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7324      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7325      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7324      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4469      1.00000
      2      -8.5032      1.00000
      3      -7.1375      1.00000
      4      -5.2907      1.00000
      5      -2.8122      1.00000
      6      -0.1205      1.00000
      7       3.0913      0.75626
      8       5.8231     -0.00000
      9       6.5951     -0.00000
     10       7.8413     -0.00000
     11       8.6075     -0.00000
     12       8.9987      0.00000
     13       9.4170      0.00000
     14       9.8464      0.00000
     15      10.1705      0.00000
     16      10.7324      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6146      0.00000
     16      10.0615      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8808      0.00000
     15       9.6150      0.00000
     16      10.1385      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6146      0.00000
     16      10.1002      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8807      0.00000
     15       9.6147      0.00000
     16      10.1041      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6159      0.00000
     16      10.2663      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1948      1.00000
      2      -7.2459      1.00000
      3      -5.8739      1.00000
      4      -4.0214      1.00000
      5      -1.5384      1.00000
      6       1.0961      1.00000
      7       3.8139     -0.00002
      8       4.6887     -0.00000
      9       5.4269     -0.00000
     10       6.5157     -0.00000
     11       7.0839     -0.00000
     12       7.6913     -0.00000
     13       8.1679     -0.00000
     14       8.8806      0.00000
     15       9.6146      0.00000
     16      10.1264      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0992      0.00000
     16       9.1390      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1391      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0991      0.00000
     16       9.1390      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5215      1.00000
      2      -5.5654      1.00000
      3      -4.1880      1.00000
      4      -2.3429      1.00000
      5       0.0275      1.00000
      6       0.9845      1.00000
      7       1.9915      1.00000
      8       2.9940      0.99222
      9       3.5305     -0.01168
     10       5.1800     -0.00000
     11       5.9260     -0.00000
     12       7.3351     -0.00000
     13       7.9775     -0.00000
     14       8.6454      0.00000
     15       9.0990      0.00000
     16       9.1390      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7057      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7090      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7092      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7063      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7056      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4239      1.00000
      2      -3.4638      1.00000
      3      -2.1052      1.00000
      4      -1.9132      1.00000
      5      -1.0247      1.00000
      6      -0.3668      1.00000
      7       0.6453      1.00000
      8       2.2852      1.00000
      9       2.6660      1.00148
     10       4.7482     -0.00000
     11       4.9039     -0.00000
     12       7.0249     -0.00000
     13       7.4941     -0.00000
     14       8.0219     -0.00000
     15       8.8638      0.00000
     16       9.7153      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0532      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0452      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4038      1.00000
      2      -7.4558      1.00000
      3      -6.0847      1.00000
      4      -4.2327      1.00000
      5      -1.7479      1.00000
      6       0.9046      1.00000
      7       3.9820     -0.00000
      8       6.0104     -0.00000
      9       6.4827     -0.00000
     10       7.2325     -0.00000
     11       7.3115     -0.00000
     12       7.5127     -0.00000
     13       7.5981     -0.00000
     14       8.3861     -0.00000
     15       8.7474      0.00000
     16      10.0505      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7520      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7522      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4102     -0.00000
     16       8.7524      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4102     -0.00000
     16       8.7522      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4103     -0.00000
     16       8.7520      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9409      1.00000
      2      -5.9866      1.00000
      3      -4.6095      1.00000
      4      -2.7578      1.00000
      5      -0.3009      1.00000
      6       2.1617      1.00000
      7       3.1193      0.64446
      8       4.1185     -0.00000
      9       5.0855     -0.00000
     10       5.3648     -0.00000
     11       5.9181     -0.00000
     12       6.4967     -0.00000
     13       7.0099     -0.00000
     14       7.7627     -0.00000
     15       8.4102     -0.00000
     16       8.7525      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8537      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8270      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8471      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8583      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8510      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0548      1.00000
      2      -4.0946      1.00000
      3      -2.7199      1.00000
      4      -0.9182      1.00000
      5      -0.0724      1.00000
      6       0.7389      1.00000
      7       1.7154      1.00000
      8       2.5984      1.00029
      9       4.0680     -0.00000
     10       4.2580     -0.00000
     11       4.8538     -0.00000
     12       5.7439     -0.00000
     13       6.6367     -0.00000
     14       7.4077     -0.00000
     15       7.5479     -0.00000
     16       8.8767      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.6663      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7575      1.00000
      2      -2.7403      1.00000
      3      -1.8083      1.00000
      4      -1.7873      1.00000
      5      -0.6704      1.00000
      6      -0.2820      1.00000
      7       1.2228      1.00000
      8       1.9598      1.00000
      9       3.7868     -0.00004
     10       3.9027     -0.00000
     11       4.7159     -0.00000
     12       5.7666     -0.00000
     13       6.3928     -0.00000
     14       6.7629     -0.00000
     15       7.1325     -0.00000
     16       8.6760      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2472      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.6930      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2473      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.6905      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2653      1.00000
      2      -4.3055      1.00000
      3      -2.9279      1.00000
      4      -1.1009      1.00000
      5       1.1600      1.00000
      6       2.0836      1.00000
      7       2.2473      1.00000
      8       2.9943      0.99088
      9       3.4637     -0.02580
     10       4.2358     -0.00000
     11       4.4914     -0.00000
     12       4.8602     -0.00000
     13       6.1959     -0.00000
     14       6.8403     -0.00000
     15       7.2741     -0.00000
     16       8.6926      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2406     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2504     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41592
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2463     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41592
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2652     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2458     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1681      1.00000
      2      -2.2115      1.00000
      3      -0.8688      1.00000
      4      -0.6668      1.00000
      5       0.1978      1.00000
      6       0.8150      1.00000
      7       1.7405      1.00000
      8       1.8291      1.00000
      9       2.5735      1.00015
     10       3.1758      0.41593
     11       4.1372     -0.00000
     12       4.6642     -0.00000
     13       6.0514     -0.00000
     14       6.1467     -0.00000
     15       6.3691     -0.00000
     16       8.2627     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8882      1.00000
      2      -0.8851      1.00000
      3      -0.8583      1.00000
      4      -0.0161      1.00000
      5       0.0806      1.00000
      6       0.0856      1.00000
      7       1.0995      1.00000
      8       1.1051      1.00000
      9       1.7965      1.00000
     10       2.6639      1.00138
     11       4.0807     -0.00000
     12       4.0830     -0.00000
     13       5.9917     -0.00000
     14       6.0000     -0.00000
     15       6.0819     -0.00000
     16       8.0156     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.945 -61.926   0.000  -0.151   0.000  -0.000  -0.011  -0.000
-61.926  33.075  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.151   0.072   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.0812: real time    422.1830
    FORNL :  cpu time      0.4986: real time      0.5046
    FORCOR:  cpu time      1.9486: real time      1.9605
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.362E-06 0.294E-05 0.182E+03   0.420E-13 0.281E-13 -.181E+03   -.601E-06 -.343E-05 -.108E+01
   0.145E-05 0.110E-05 0.925E+02   -.270E-14 0.405E-14 -.924E+02   -.157E-05 -.110E-05 -.645E-01
   0.497E-05 0.713E-05 -.246E+00   -.140E-12 -.871E-13 0.235E+00   -.642E-05 -.734E-05 0.178E-01
   0.306E-05 0.268E-05 -.928E+02   0.136E-12 0.834E-13 0.927E+02   -.458E-05 -.355E-05 0.921E-01
   -.764E-05 -.776E-05 -.182E+03   -.452E-13 -.254E-13 0.181E+03   0.743E-05 0.912E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.279E-05 0.655E-05 0.573E-02   -.971E-14 0.313E-14 -.284E-13   -.573E-05 -.630E-05 -.178E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.034411
      0.00000      0.00000      2.36364         0.000000     -0.000000      0.003482
      1.42873      0.82488      4.67193        -0.000002     -0.000001      0.008347
      2.85746      1.64976      6.98437         0.000000     -0.000000      0.010608
      0.00000      0.00000      9.36028         0.000000      0.000001      0.011974
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003      0.000000     -0.013690


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90385854 eV

  energy  without entropy=      -13.89666982  energy(sigma->0) =      -13.90146230
 
 d Force = 0.4935772E-04[ 0.486E-04, 0.501E-04]  d Energy = 0.4648839E-04 0.287E-05
 d Force = 0.3253337E+00[ 0.325E+00, 0.325E+00]  d Ewald  = 0.3253337E+00-0.318E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9527: real time      1.9648


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.163E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.0325
 eigenvalue spectrum of G is  1.0325


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.1027
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9505: real time      1.9627
    EDDIAG:  cpu time    579.1978: real time    584.2695
    CHARGE:  cpu time      0.2655: real time      0.2677
 writing wavefunctions
     LOOP+:  cpu time   4505.4065: real time   4544.0584


--------------------------------------- Iteration     15(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7236: real time      0.7301
    SETDIJ:  cpu time      1.2303: real time      1.2356
    TRIAL :  cpu time    584.3080: real time    589.3353
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2665: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    586.5423: real time    591.5844

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4847461E-05  (-0.1647742E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008659 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75983399
  -Hartree energ DENC   =      -703.77812913
  -exchange      EXHF   =        33.27587522
  -V(xc)+E(xc)   XCENC  =       -83.54590875
  PAW double counting   =    100995.12793885  -100894.16999332
  entropy T*S    EENTRO =        -0.00718016
  eigenvalues    EBANDS =       -35.14767218
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385465 eV

  energy without entropy =      -13.89667449  energy(sigma->0) =      -13.90146126
  exchange ACFDT corr.  =        -0.00662512  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     15(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2304: real time      1.2361
    TRIAL :  cpu time    583.9251: real time    588.9621
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    578.1568: real time    583.0704
    CHARGE:  cpu time      0.2651: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1164.3036: real time   1174.2683

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4204863E-05  (-0.4997034E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008649 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75983399
  -Hartree energ DENC   =      -703.68657997
  -exchange      EXHF   =        33.27552095
  -V(xc)+E(xc)   XCENC  =       -83.54600650
  PAW double counting   =    100995.03001614  -100894.07206356
  entropy T*S    EENTRO =        -0.00717921
  eigenvalues    EBANDS =       -35.23887229
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385885 eV

  energy without entropy =      -13.89667964  energy(sigma->0) =      -13.90146578
  exchange ACFDT corr.  =        -0.00661992  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9503


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8825       2 -69.7623       3 -69.7640       4 -69.7806       5 -69.9075
 
 
 
 E-fermi :   3.1567     XC(G=0):  -5.1193     alpha+bet : -8.9779

 Fermi energy:         3.1566634297

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9050      1.00000
      2      -9.9664      1.00000
      3      -8.6085      1.00000
      4      -6.7724      1.00000
      5      -4.3178      1.00000
      6      -1.5837      1.00000
      7       1.6561      1.00000
      8       4.6287     -0.00000
      9       5.4053     -0.00000
     10       7.9263     -0.00000
     11       7.9906     -0.00000
     12      11.8893      0.00000
     13      12.1891      0.00000
     14      16.0461      0.00000
     15      16.0797      0.00000
     16      16.1412      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8719      0.00000
     16      14.3131      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8715      0.00000
     16      14.3494      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8716      0.00000
     16      14.3123      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5033      0.00000
     16      12.7641      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5047      0.00000
     16      12.7904      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5056      0.00000
     16      12.8455      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.5999      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.6046      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.6210      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5143      0.00000
     16      10.8262      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5143      0.00000
     16      10.8258      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5142      0.00000
     16      10.8262      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.5428      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.3874      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.4064      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4189      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2180      0.00000
     16      10.5355      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4189      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2179      0.00000
     16      10.5370      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4189      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2178      0.00000
     16      10.5353      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4272      0.00000
     14      11.8971      0.00000
     15      12.0396      0.00000
     16      12.6522      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4273      0.00000
     14      11.8976      0.00000
     15      12.0393      0.00000
     16      12.6462      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4271      0.00000
     14      11.8976      0.00000
     15      12.0395      0.00000
     16      12.6492      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7334      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7334      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7332      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6159      0.00000
     16      10.1364      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6158      0.00000
     16      10.0566      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8816      0.00000
     15       9.6172      0.00000
     16      10.2554      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8819      0.00000
     15       9.6163      0.00000
     16      10.2478      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6156      0.00000
     16      10.0729      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8822      0.00000
     15       9.7249      0.00000
     16      10.1752      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0985      0.00000
     16       9.1398      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0985      0.00000
     16       9.1398      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7089      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7174      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8648      0.00000
     16       9.7130      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7064      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7059      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7147      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7480      0.00000
     16      10.0474      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7479      0.00000
     16      10.0577      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7479      0.00000
     16      10.0468      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64374
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7513      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7517      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64374
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4105     -0.00000
     16       8.7514      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64374
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4105     -0.00000
     16       8.7514      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64374
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7517      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7512      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8385      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8466      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8331      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8750      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8654      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8762      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.7065      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.6902      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.6874      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.6909      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.6985      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.7009      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2369     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2586     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2420     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2436     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2410     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.4077     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8864      1.00000
      2      -0.8849      1.00000
      3      -0.8572      1.00000
      4      -0.0152      1.00000
      5       0.0832      1.00000
      6       0.0851      1.00000
      7       1.1027      1.00000
      8       1.1032      1.00000
      9       1.7970      1.00000
     10       2.6643      1.00138
     11       4.0765     -0.00000
     12       4.0880     -0.00000
     13       5.9914     -0.00000
     14       6.0012     -0.00000
     15       6.0827     -0.00000
     16       8.0154     -0.00000
 Fermi energy:         3.1566634297

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9050      1.00000
      2      -9.9664      1.00000
      3      -8.6085      1.00000
      4      -6.7724      1.00000
      5      -4.3178      1.00000
      6      -1.5837      1.00000
      7       1.6561      1.00000
      8       4.6287     -0.00000
      9       5.4053     -0.00000
     10       7.9263     -0.00000
     11       7.9906     -0.00000
     12      11.8893      0.00000
     13      12.1891      0.00000
     14      16.0507      0.00000
     15      16.1175      0.00000
     16      16.2752      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8714      0.00000
     16      14.3088      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8714      0.00000
     16      14.3084      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6966      1.00000
      2      -9.7574      1.00000
      3      -8.3984      1.00000
      4      -6.5607      1.00000
      5      -4.1019      1.00000
      6      -1.3737      1.00000
      7       1.8694      1.00000
      8       4.8116     -0.00000
      9       5.5797     -0.00000
     10       8.0942     -0.00000
     11       8.1556     -0.00000
     12      12.0178      0.00000
     13      12.2829      0.00000
     14      13.1102      0.00000
     15      13.8715      0.00000
     16      14.3108      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5078      0.00000
     16      12.8377      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5035      0.00000
     16      12.7645      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0714      1.00000
      2      -9.1300      1.00000
      3      -7.7679      1.00000
      4      -5.9255      1.00000
      5      -3.4556      1.00000
      6      -0.7451      1.00000
      7       2.4943      1.00002
      8       5.3436     -0.00000
      9       6.0975     -0.00000
     10       8.4767     -0.00000
     11       8.6269      0.00000
     12       9.7180      0.00000
     13      10.2892      0.00000
     14      11.3872      0.00000
     15      12.5053      0.00000
     16      12.8073      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.6014      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.6173      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0287      1.00000
      2      -8.0834      1.00000
      3      -6.7159      1.00000
      4      -4.8669      1.00000
      5      -2.3845      1.00000
      6       0.2915      1.00000
      7       3.4460     -0.02979
      8       5.6388     -0.00000
      9       6.5371     -0.00000
     10       6.8840     -0.00000
     11       7.0434     -0.00000
     12       8.0736     -0.00000
     13       9.3965      0.00000
     14       9.5753      0.00000
     15       9.8048      0.00000
     16      11.6072      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5138      0.00000
     16      10.8263      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5149      0.00000
     16      10.8288      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5667      1.00000
      2      -6.6151      1.00000
      3      -5.2408      1.00000
      4      -3.3887      1.00000
      5      -0.9199      1.00000
      6       1.5777      1.00000
      7       2.5315      1.00005
      8       3.5452     -0.00948
      9       4.8141     -0.00000
     10       5.1586     -0.00000
     11       6.5077     -0.00000
     12       7.6489     -0.00000
     13       8.2071     -0.00000
     14       8.7240      0.00000
     15      10.5147      0.00000
     16      10.8291      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.4137      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.4438      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6815      1.00000
      2      -4.7226      1.00000
      3      -3.3474      1.00000
      4      -1.5354      1.00000
      5      -0.6878      1.00000
      6       0.1379      1.00000
      7       1.1260      1.00000
      8       2.0281      1.00000
      9       3.6373     -0.00174
     10       3.7426     -0.00013
     11       5.9450     -0.00000
     12       6.7337     -0.00000
     13       8.2391     -0.00000
     14       9.1932      0.00000
     15       9.7455      0.00000
     16      10.4429      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4190      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2225      0.00000
     16      10.5466      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4189      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2180      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3821      1.00000
      2      -3.3651      1.00000
      3      -2.4202      1.00000
      4      -2.4190      1.00000
      5      -1.2838      1.00000
      6      -0.8940      1.00000
      7       0.6233      1.00000
      8       1.3677      1.00000
      9       3.3965     -0.03537
     10       3.5413     -0.00999
     11       5.6743     -0.00000
     12       6.0225     -0.00000
     13       8.4328     -0.00000
     14       8.8770      0.00000
     15      10.2201      0.00000
     16      10.5355      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4272      0.00000
     14      11.8973      0.00000
     15      12.0396      0.00000
     16      12.6447      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4271      0.00000
     14      11.8974      0.00000
     15      12.0407      0.00000
     16      12.6361      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2798      1.00000
      2      -9.3392      1.00000
      3      -7.9781      1.00000
      4      -6.1372      1.00000
      5      -3.6708      1.00000
      6      -0.9543      1.00000
      7       2.2890      1.00000
      8       5.1709     -0.00000
      9       5.9264     -0.00000
     10       8.4185     -0.00000
     11       8.4636     -0.00000
     12      11.4107      0.00000
     13      11.4271      0.00000
     14      11.8970      0.00000
     15      12.0462      0.00000
     16      12.7168      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7333      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7332      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4459      1.00000
      2      -8.5022      1.00000
      3      -7.1369      1.00000
      4      -5.2903      1.00000
      5      -2.8117      1.00000
      6      -0.1201      1.00000
      7       3.0915      0.75760
      8       5.8231     -0.00000
      9       6.5943     -0.00000
     10       7.8421     -0.00000
     11       8.6084     -0.00000
     12       8.9985      0.00000
     13       9.4169      0.00000
     14       9.8470      0.00000
     15      10.1714      0.00000
     16      10.7332      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6155      0.00000
     16      10.0613      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8815      0.00000
     15       9.6159      0.00000
     16      10.1367      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6155      0.00000
     16      10.0987      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8815      0.00000
     15       9.6156      0.00000
     16      10.1026      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6167      0.00000
     16      10.2657      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1938      1.00000
      2      -7.2449      1.00000
      3      -5.8733      1.00000
      4      -4.0210      1.00000
      5      -1.5379      1.00000
      6       1.0966      1.00000
      7       3.8145     -0.00002
      8       4.6894     -0.00000
      9       5.4277     -0.00000
     10       6.5162     -0.00000
     11       7.0840     -0.00000
     12       7.6906     -0.00000
     13       8.1684     -0.00000
     14       8.8814      0.00000
     15       9.6156      0.00000
     16      10.1245      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0985      0.00000
     16       9.1398      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0984      0.00000
     16       9.1399      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6456      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5205      1.00000
      2      -5.5645      1.00000
      3      -4.1874      1.00000
      4      -2.3425      1.00000
      5       0.0281      1.00000
      6       0.9855      1.00000
      7       1.9924      1.00000
      8       2.9945      0.99216
      9       3.5310     -0.01167
     10       5.1804     -0.00000
     11       5.9263     -0.00000
     12       7.3358     -0.00000
     13       7.9782     -0.00000
     14       8.6457      0.00000
     15       9.0984      0.00000
     16       9.1398      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7060      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7092      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7094      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7066      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7060      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4228      1.00000
      2      -3.4629      1.00000
      3      -2.1046      1.00000
      4      -1.9121      1.00000
      5      -1.0238      1.00000
      6      -0.3663      1.00000
      7       0.6458      1.00000
      8       2.2856      1.00000
      9       2.6665      1.00147
     10       4.7488     -0.00000
     11       4.9044     -0.00000
     12       7.0255     -0.00000
     13       7.4947     -0.00000
     14       8.0224     -0.00000
     15       8.8647      0.00000
     16       9.7151      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7479      0.00000
     16      10.0533      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7479      0.00000
     16      10.0449      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4028      1.00000
      2      -7.4548      1.00000
      3      -6.0842      1.00000
      4      -4.2323      1.00000
      5      -1.7474      1.00000
      6       0.9051      1.00000
      7       3.9822     -0.00000
      8       6.0110     -0.00000
      9       6.4836     -0.00000
     10       7.2331     -0.00000
     11       7.3120     -0.00000
     12       7.5136     -0.00000
     13       7.5975     -0.00000
     14       8.3867     -0.00000
     15       8.7479      0.00000
     16      10.0500      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7513      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4105     -0.00000
     16       8.7514      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7516      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7515      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4105     -0.00000
     16       8.7513      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9399      1.00000
      2      -5.9856      1.00000
      3      -4.6090      1.00000
      4      -2.7573      1.00000
      5      -0.3003      1.00000
      6       2.1623      1.00000
      7       3.1202      0.64375
      8       4.1193     -0.00000
      9       5.0863     -0.00000
     10       5.3653     -0.00000
     11       5.9188     -0.00000
     12       6.4974     -0.00000
     13       7.0104     -0.00000
     14       7.7630     -0.00000
     15       8.4104     -0.00000
     16       8.7517      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8542      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8277      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8469      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8581      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8509      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0538      1.00000
      2      -4.0937      1.00000
      3      -2.7193      1.00000
      4      -0.9177      1.00000
      5      -0.0714      1.00000
      6       0.7398      1.00000
      7       1.7160      1.00000
      8       2.5990      1.00030
      9       4.0685     -0.00000
     10       4.2586     -0.00000
     11       4.8546     -0.00000
     12       5.7448     -0.00000
     13       6.6371     -0.00000
     14       7.4082     -0.00000
     15       7.5483     -0.00000
     16       8.8774      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.6667      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7565      1.00000
      2      -2.7392      1.00000
      3      -1.8073      1.00000
      4      -1.7863      1.00000
      5      -0.6698      1.00000
      6      -0.2814      1.00000
      7       1.2232      1.00000
      8       1.9602      1.00000
      9       3.7875     -0.00004
     10       3.9034     -0.00000
     11       4.7168     -0.00000
     12       5.7674     -0.00000
     13       6.3932     -0.00000
     14       6.7634     -0.00000
     15       7.1330     -0.00000
     16       8.6760      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.6935      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.6910      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2642      1.00000
      2      -4.3045      1.00000
      3      -2.9273      1.00000
      4      -1.1005      1.00000
      5       1.1607      1.00000
      6       2.0846      1.00000
      7       2.2483      1.00000
      8       2.9951      0.99074
      9       3.4647     -0.02580
     10       4.2363     -0.00000
     11       4.4919     -0.00000
     12       4.8607     -0.00000
     13       6.1963     -0.00000
     14       6.8407     -0.00000
     15       7.2744     -0.00000
     16       8.6931      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2408     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2507     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2467     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41545
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2650     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2462     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1670      1.00000
      2      -2.2105      1.00000
      3      -0.8682      1.00000
      4      -0.6658      1.00000
      5       0.1988      1.00000
      6       0.8155      1.00000
      7       1.7415      1.00000
      8       1.8297      1.00000
      9       2.5744      1.00015
     10       3.1762      0.41546
     11       4.1377     -0.00000
     12       4.6647     -0.00000
     13       6.0517     -0.00000
     14       6.1472     -0.00000
     15       6.3697     -0.00000
     16       8.2629     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8864      1.00000
      2      -0.8849      1.00000
      3      -0.8572      1.00000
      4      -0.0152      1.00000
      5       0.0832      1.00000
      6       0.0851      1.00000
      7       1.1027      1.00000
      8       1.1032      1.00000
      9       1.7970      1.00000
     10       2.6643      1.00138
     11       4.0765     -0.00000
     12       4.0880     -0.00000
     13       5.9914     -0.00000
     14       6.0012     -0.00000
     15       6.0827     -0.00000
     16       8.0159     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.767  23.495  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.767  23.495  -0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.950 -61.929   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.929  33.076  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068  -0.000  -0.000  -0.321  -0.000   0.000
 -0.150   0.072  -0.000   1.702   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    418.7260: real time    421.7785
    FORNL :  cpu time      0.4989: real time      0.5049
    FORCOR:  cpu time      1.9498: real time      1.9612
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.333E-06 0.278E-05 0.182E+03   0.366E-13 0.268E-13 -.181E+03   -.132E-06 -.313E-05 -.108E+01
   0.317E-06 0.283E-05 0.925E+02   0.121E-13 0.437E-14 -.924E+02   -.344E-06 -.262E-05 -.610E-01
   0.251E-05 0.600E-05 -.247E+00   -.150E-12 -.854E-13 0.237E+00   -.308E-05 -.684E-05 0.219E-01
   0.352E-05 0.241E-05 -.927E+02   0.136E-12 0.809E-13 0.927E+02   -.481E-05 -.373E-05 0.995E-01
   -.606E-05 -.305E-05 -.182E+03   -.440E-13 -.236E-13 0.181E+03   0.627E-05 0.386E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.884E-06 0.117E-04 0.391E-02   -.971E-14 0.313E-14 0.000E+00   -.209E-05 -.125E-04 -.256E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.043524
      0.00000      0.00000      2.36355         0.000000      0.000001     -0.003391
      1.42873      0.82488      4.67181        -0.000001     -0.000001      0.011108
      2.85746      1.64976      6.98420        -0.000000     -0.000001      0.022509
      0.00000      0.00000      9.36025         0.000000      0.000001      0.013297
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001      0.000717


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90385885 eV

  energy  without entropy=      -13.89667964  energy(sigma->0) =      -13.90146578
 
 d Force =-0.4353350E-05[-0.521E-05,-0.350E-05]  d Energy = 0.3156747E-06-0.467E-05
 d Force =-0.1163226E-01[-0.116E-01,-0.116E-01]  d Ewald  =-0.1163226E-01 0.250E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9498: real time      1.9612


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.395E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.3930
 eigenvalue spectrum of G is  1.3930  1.3930


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0821
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0847: real time      0.0851
    POTLOK:  cpu time      1.9488: real time      1.9611
    EDDIAG:  cpu time    576.2331: real time    581.2595
    CHARGE:  cpu time      0.2655: real time      0.2677
 writing wavefunctions
     LOOP+:  cpu time   2753.4503: real time   2776.8243


--------------------------------------- Iteration     16(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2300: real time      1.2364
    TRIAL :  cpu time    581.7863: real time    586.8101
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    584.0183: real time    589.0578

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3262058E-03  (-0.9614574E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008669 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -704.33272003
  -exchange      EXHF   =        33.27747983
  -V(xc)+E(xc)   XCENC  =       -83.54529232
  PAW double counting   =    101005.13360729  -100904.17570959
  entropy T*S    EENTRO =        -0.00719659
  eigenvalues    EBANDS =       -34.60439473
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90352844 eV

  energy without entropy =      -13.89633185  energy(sigma->0) =      -13.90112958
  exchange ACFDT corr.  =        -0.00666180  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7266
    SETDIJ:  cpu time      1.2310: real time      1.2364
    TRIAL :  cpu time    579.4208: real time    584.4300
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    581.6426: real time    586.6656

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2155668E-03  (-0.2047557E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008650 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.57652008
  -exchange      EXHF   =        33.27522099
  -V(xc)+E(xc)   XCENC  =       -83.54612391
  PAW double counting   =    100996.18924154  -100895.23127147
  entropy T*S    EENTRO =        -0.00718886
  eigenvalues    EBANDS =       -35.35781653
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374401 eV

  energy without entropy =      -13.89655515  energy(sigma->0) =      -13.90134772
  exchange ACFDT corr.  =        -0.00662185  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7274
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    583.7675: real time    588.8483
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    585.9912: real time    591.0862

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2514586E-04  (-0.1723588E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008638 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.37461134
  -exchange      EXHF   =        33.27447852
  -V(xc)+E(xc)   XCENC  =       -83.54640403
  PAW double counting   =    100995.10923361  -100894.15124185
  entropy T*S    EENTRO =        -0.00720136
  eigenvalues    EBANDS =       -35.55875725
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376916 eV

  energy without entropy =      -13.89656780  energy(sigma->0) =      -13.90136870
  exchange ACFDT corr.  =        -0.00661617  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7269
    SETDIJ:  cpu time      1.2309: real time      1.2368
    TRIAL :  cpu time    580.5786: real time    585.6109
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2666: real time      0.2688
    --------------------------------------------
      LOOP:  cpu time    582.8017: real time    587.8482

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8369111E-04  (-0.5226260E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008633 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.69820254
  -exchange      EXHF   =        33.27522163
  -V(xc)+E(xc)   XCENC  =       -83.54614526
  PAW double counting   =    101000.70047251  -100899.74250124
  entropy T*S    EENTRO =        -0.00720739
  eigenvalues    EBANDS =       -35.23621861
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385285 eV

  energy without entropy =      -13.89664545  energy(sigma->0) =      -13.90145038
  exchange ACFDT corr.  =        -0.00663122  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7207: real time      0.7268
    SETDIJ:  cpu time      1.2332: real time      1.2385
    TRIAL :  cpu time    580.0695: real time    585.0767
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    582.2943: real time    587.3150

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2358448E-04  (-0.6604938E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008630 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.87432813
  -exchange      EXHF   =        33.27568948
  -V(xc)+E(xc)   XCENC  =       -83.54598216
  PAW double counting   =    101003.94651064  -100902.98853378
  entropy T*S    EENTRO =        -0.00720221
  eigenvalues    EBANDS =       -35.06069994
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90382926 eV

  energy without entropy =      -13.89662706  energy(sigma->0) =      -13.90142853
  exchange ACFDT corr.  =        -0.00663647  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7208: real time      0.7269
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    582.2442: real time    587.2524
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    584.4660: real time    589.4879

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3534727E-04  (-0.8759684E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008628 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.75169091
  -exchange      EXHF   =        33.27541205
  -V(xc)+E(xc)   XCENC  =       -83.54608853
  PAW double counting   =    101003.22040292  -100902.26243485
  entropy T*S    EENTRO =        -0.00719718
  eigenvalues    EBANDS =       -35.18298511
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386461 eV

  energy without entropy =      -13.89666742  energy(sigma->0) =      -13.90146555
  exchange ACFDT corr.  =        -0.00663013  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2311: real time      1.2363
    TRIAL :  cpu time    580.9654: real time    585.9531
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    583.1884: real time    588.1895

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4232570E-05  (-0.1248841E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008625 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.63090114
  -exchange      EXHF   =        33.27515005
  -V(xc)+E(xc)   XCENC  =       -83.54618620
  PAW double counting   =    101002.43690279  -100901.47892967
  entropy T*S    EENTRO =        -0.00719860
  eigenvalues    EBANDS =       -35.30342105
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386038 eV

  energy without entropy =      -13.89666178  energy(sigma->0) =      -13.90146084
  exchange ACFDT corr.  =        -0.00662405  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     16(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2351: real time      1.2405
    TRIAL :  cpu time    580.5195: real time    585.5527
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    581.0341: real time    586.1089
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time   1163.7810: real time   1173.9027

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3855064E-05  (-0.9100780E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008620 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.76933778
  -Hartree energ DENC   =      -703.66738091
  -exchange      EXHF   =        33.27554410
  -V(xc)+E(xc)   XCENC  =       -83.54612804
  PAW double counting   =    101003.85360799  -100902.89563830
  entropy T*S    EENTRO =        -0.00720169
  eigenvalues    EBANDS =       -35.26715488
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386423 eV

  energy without entropy =      -13.89666254  energy(sigma->0) =      -13.90146367
  exchange ACFDT corr.  =        -0.00663031  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8645


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9002       2 -69.7793       3 -69.7697       4 -69.7704       5 -69.8872
 
 
 
 E-fermi :   3.1564     XC(G=0):  -5.1194     alpha+bet : -8.9779

 Fermi energy:         3.1563648926

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9095      1.00000
      2      -9.9673      1.00000
      3      -8.6094      1.00000
      4      -6.7740      1.00000
      5      -4.3192      1.00000
      6      -1.5849      1.00000
      7       1.6554      1.00000
      8       4.6285     -0.00000
      9       5.4078     -0.00000
     10       7.9276     -0.00000
     11       7.9912     -0.00000
     12      11.8899      0.00000
     13      12.1895      0.00000
     14      16.0412      0.00000
     15      16.0675      0.00000
     16      16.1197      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8704      0.00000
     16      14.3072      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8703      0.00000
     16      14.3351      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8703      0.00000
     16      14.3067      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5036      0.00000
     16      12.7626      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5048      0.00000
     16      12.7871      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5056      0.00000
     16      12.8395      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.5982      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.6026      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.6177      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7226      0.00000
     15      10.5148      0.00000
     16      10.8261      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7226      0.00000
     15      10.5148      0.00000
     16      10.8259      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7226      0.00000
     15      10.5147      0.00000
     16      10.8265      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.5218      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.3823      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.3980      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2132      0.00000
     16      10.5343      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2135      0.00000
     16      10.5352      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2132      0.00000
     16      10.5340      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4232      0.00000
     14      11.8965      0.00000
     15      12.0391      0.00000
     16      12.6502      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4233      0.00000
     14      11.8968      0.00000
     15      12.0390      0.00000
     16      12.6438      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4231      0.00000
     14      11.8967      0.00000
     15      12.0394      0.00000
     16      12.6496      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7324      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7325      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6146      0.00000
     16      10.1223      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6145      0.00000
     16      10.0534      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8780      0.00000
     15       9.6155      0.00000
     16      10.2535      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8782      0.00000
     15       9.6148      0.00000
     16      10.2447      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6143      0.00000
     16      10.0672      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8782      0.00000
     15       9.6860      0.00000
     16      10.1567      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6446      0.00000
     15       9.1004      0.00000
     16       9.1386      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1386      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1386      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1386      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1387      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1004      0.00000
     16       9.1386      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7076      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7152      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8638      0.00000
     16       9.7108      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7055      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7052      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7114      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5992     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0466      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5992     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0576      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5992     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0475      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64533
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7535      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7538      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7536      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7536      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7539      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7535      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8355      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8456      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8309      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8735      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8628      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8740      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6977      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6840      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6817      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6897      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6969      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6990      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41466
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2359     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41468
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2545     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41467
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2405     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41467
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2416     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41467
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2394     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41469
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.4016     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8924      1.00000
      2      -0.8881      1.00000
      3      -0.8618      1.00000
      4      -0.0170      1.00000
      5       0.0803      1.00000
      6       0.0869      1.00000
      7       1.0974      1.00000
      8       1.1062      1.00000
      9       1.7968      1.00000
     10       2.6633      1.00138
     11       4.0790     -0.00000
     12       4.0822     -0.00000
     13       5.9918     -0.00000
     14       5.9989     -0.00000
     15       6.0806     -0.00000
     16       8.0146     -0.00000
 Fermi energy:         3.1563648926

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9095      1.00000
      2      -9.9673      1.00000
      3      -8.6094      1.00000
      4      -6.7740      1.00000
      5      -4.3192      1.00000
      6      -1.5849      1.00000
      7       1.6554      1.00000
      8       4.6285     -0.00000
      9       5.4078     -0.00000
     10       7.9276     -0.00000
     11       7.9912     -0.00000
     12      11.8899      0.00000
     13      12.1895      0.00000
     14      16.0460      0.00000
     15      16.0975      0.00000
     16      16.2522      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8703      0.00000
     16      14.3042      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8703      0.00000
     16      14.3038      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.7011      1.00000
      2      -9.7583      1.00000
      3      -8.3993      1.00000
      4      -6.5623      1.00000
      5      -4.1033      1.00000
      6      -1.3750      1.00000
      7       1.8688      1.00000
      8       4.8115     -0.00000
      9       5.5821     -0.00000
     10       8.0954     -0.00000
     11       8.1562     -0.00000
     12      12.0183      0.00000
     13      12.2831      0.00000
     14      13.1059      0.00000
     15      13.8704      0.00000
     16      14.3057      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5076      0.00000
     16      12.8318      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5037      0.00000
     16      12.7630      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0759      1.00000
      2      -9.1309      1.00000
      3      -7.7687      1.00000
      4      -5.9272      1.00000
      5      -3.4569      1.00000
      6      -0.7463      1.00000
      7       2.4937      1.00001
      8       5.3434     -0.00000
      9       6.0999     -0.00000
     10       8.4770     -0.00000
     11       8.6277      0.00000
     12       9.7140      0.00000
     13      10.2884      0.00000
     14      11.3864      0.00000
     15      12.5053      0.00000
     16      12.8029      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.5996      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.6142      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0332      1.00000
      2      -8.0843      1.00000
      3      -6.7167      1.00000
      4      -4.8686      1.00000
      5      -2.3859      1.00000
      6       0.2902      1.00000
      7       3.4451     -0.02977
      8       5.6362     -0.00000
      9       6.5362     -0.00000
     10       6.8828     -0.00000
     11       7.0452     -0.00000
     12       8.0729     -0.00000
     13       9.3970      0.00000
     14       9.5750      0.00000
     15       9.8045      0.00000
     16      11.6050      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7226      0.00000
     15      10.5144      0.00000
     16      10.8266      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7226      0.00000
     15      10.5153      0.00000
     16      10.8290      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5712      1.00000
      2      -6.6160      1.00000
      3      -5.2416      1.00000
      4      -3.3904      1.00000
      5      -0.9213      1.00000
      6       1.5759      1.00000
      7       2.5278      1.00005
      8       3.5444     -0.00937
      9       4.8137     -0.00000
     10       5.1573     -0.00000
     11       6.5061     -0.00000
     12       7.6487     -0.00000
     13       8.2094     -0.00000
     14       8.7227      0.00000
     15      10.5152      0.00000
     16      10.8290      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.4041      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.4291      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6861      1.00000
      2      -4.7235      1.00000
      3      -3.3483      1.00000
      4      -1.5371      1.00000
      5      -0.6925      1.00000
      6       0.1369      1.00000
      7       1.1252      1.00000
      8       2.0272      1.00000
      9       3.6360     -0.00175
     10       3.7408     -0.00013
     11       5.9437     -0.00000
     12       6.7329     -0.00000
     13       8.2378     -0.00000
     14       9.1930      0.00000
     15       9.7478      0.00000
     16      10.4284      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2158      0.00000
     16      10.5418      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2132      0.00000
     16      10.5348      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3867      1.00000
      2      -3.3697      1.00000
      3      -2.4211      1.00000
      4      -2.4200      1.00000
      5      -1.2849      1.00000
      6      -0.8946      1.00000
      7       0.6219      1.00000
      8       1.3660      1.00000
      9       3.3956     -0.03537
     10       3.5394     -0.00998
     11       5.6732     -0.00000
     12       6.0212     -0.00000
     13       8.4322     -0.00000
     14       8.8761      0.00000
     15      10.2138      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4231      0.00000
     14      11.8965      0.00000
     15      12.0393      0.00000
     16      12.6439      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4231      0.00000
     14      11.8967      0.00000
     15      12.0396      0.00000
     16      12.6343      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2843      1.00000
      2      -9.3401      1.00000
      3      -7.9790      1.00000
      4      -6.1389      1.00000
      5      -3.6721      1.00000
      6      -0.9556      1.00000
      7       2.2883      1.00000
      8       5.1707     -0.00000
      9       5.9288     -0.00000
     10       8.4197     -0.00000
     11       8.4641     -0.00000
     12      11.4059      0.00000
     13      11.4231      0.00000
     14      11.8964      0.00000
     15      12.0442      0.00000
     16      12.7117      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7324      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75726
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7322      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75726
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4504      1.00000
      2      -8.5031      1.00000
      3      -7.1377      1.00000
      4      -5.2920      1.00000
      5      -2.8130      1.00000
      6      -0.1213      1.00000
      7       3.0908      0.75725
      8       5.8228     -0.00000
      9       6.5966     -0.00000
     10       7.8387     -0.00000
     11       8.6072     -0.00000
     12       8.9989      0.00000
     13       9.4169      0.00000
     14       9.8464      0.00000
     15      10.1677      0.00000
     16      10.7323      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8778      0.00000
     15       9.6143      0.00000
     16      10.0573      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6145      0.00000
     16      10.1245      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6143      0.00000
     16      10.0891      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6143      0.00000
     16      10.0911      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8779      0.00000
     15       9.6153      0.00000
     16      10.2650      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1983      1.00000
      2      -7.2459      1.00000
      3      -5.8742      1.00000
      4      -4.0227      1.00000
      5      -1.5392      1.00000
      6       1.0953      1.00000
      7       3.8119     -0.00002
      8       4.6873     -0.00000
      9       5.4267     -0.00000
     10       6.5150     -0.00000
     11       7.0837     -0.00000
     12       7.6928     -0.00000
     13       8.1668     -0.00000
     14       8.8778      0.00000
     15       9.6143      0.00000
     16      10.1159      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6446      0.00000
     15       9.1004      0.00000
     16       9.1386      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6446      0.00000
     15       9.1003      0.00000
     16       9.1387      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1387      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1004      0.00000
     16       9.1386      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1386      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5250      1.00000
      2      -5.5654      1.00000
      3      -4.1883      1.00000
      4      -2.3442      1.00000
      5       0.0264      1.00000
      6       0.9814      1.00000
      7       1.9914      1.00000
      8       2.9937      0.99178
      9       3.5299     -0.01161
     10       5.1786     -0.00000
     11       5.9254     -0.00000
     12       7.3340     -0.00000
     13       7.9760     -0.00000
     14       8.6445      0.00000
     15       9.1003      0.00000
     16       9.1386      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7052      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7080      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7083      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7058      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7052      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4274      1.00000
      2      -3.4638      1.00000
      3      -2.1055      1.00000
      4      -1.9167      1.00000
      5      -1.0249      1.00000
      6      -0.3676      1.00000
      7       0.6450      1.00000
      8       2.2847      1.00000
      9       2.6646      1.00147
     10       4.7475     -0.00000
     11       4.9030     -0.00000
     12       7.0237     -0.00000
     13       7.4929     -0.00000
     14       8.0207     -0.00000
     15       8.8636      0.00000
     16       9.7133      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5992     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0523      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5992     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0448      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4073      1.00000
      2      -7.4557      1.00000
      3      -6.0850      1.00000
      4      -4.2340      1.00000
      5      -1.7487      1.00000
      6       0.9038      1.00000
      7       3.9813     -0.00000
      8       6.0083     -0.00000
      9       6.4804     -0.00000
     10       7.2318     -0.00000
     11       7.3098     -0.00000
     12       7.5133     -0.00000
     13       7.5993     -0.00000
     14       8.3862     -0.00000
     15       8.7468      0.00000
     16      10.0500      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7535      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7536      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7537      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7537      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7535      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9444      1.00000
      2      -5.9865      1.00000
      3      -4.6098      1.00000
      4      -2.7590      1.00000
      5      -0.3017      1.00000
      6       2.1604      1.00000
      7       3.1165      0.64532
      8       4.1185     -0.00000
      9       5.0832     -0.00000
     10       5.3644     -0.00000
     11       5.9171     -0.00000
     12       6.4965     -0.00000
     13       7.0089     -0.00000
     14       7.7620     -0.00000
     15       8.4101     -0.00000
     16       8.7538      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8521      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8253      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8459      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8571      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8496      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0584      1.00000
      2      -4.0946      1.00000
      3      -2.7201      1.00000
      4      -0.9194      1.00000
      5      -0.0761      1.00000
      6       0.7388      1.00000
      7       1.7151      1.00000
      8       2.5981      1.00030
      9       4.0673     -0.00000
     10       4.2561     -0.00000
     11       4.8510     -0.00000
     12       5.7438     -0.00000
     13       6.6367     -0.00000
     14       7.4073     -0.00000
     15       7.5470     -0.00000
     16       8.8756      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6646      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6639      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7611      1.00000
      2      -2.7438      1.00000
      3      -1.8087      1.00000
      4      -1.7869      1.00000
      5      -0.6708      1.00000
      6      -0.2821      1.00000
      7       1.2219      1.00000
      8       1.9586      1.00000
      9       3.7864     -0.00004
     10       3.9004     -0.00000
     11       4.7138     -0.00000
     12       5.7667     -0.00000
     13       6.3925     -0.00000
     14       6.7621     -0.00000
     15       7.1318     -0.00000
     16       8.6723      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6920      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6898      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2688      1.00000
      2      -4.3054      1.00000
      3      -2.9282      1.00000
      4      -1.1022      1.00000
      5       1.1588      1.00000
      6       2.0801      1.00000
      7       2.2446      1.00000
      8       2.9938      0.99016
      9       3.4644     -0.02559
     10       4.2358     -0.00000
     11       4.4902     -0.00000
     12       4.8598     -0.00000
     13       6.1950     -0.00000
     14       6.8390     -0.00000
     15       7.2735     -0.00000
     16       8.6918      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41468
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2395     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41468
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2478     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41467
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2443     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41468
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2610     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41467
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2440     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1716      1.00000
      2      -2.2115      1.00000
      3      -0.8692      1.00000
      4      -0.6702      1.00000
      5       0.1975      1.00000
      6       0.8142      1.00000
      7       1.7372      1.00000
      8       1.8283      1.00000
      9       2.5737      1.00016
     10       3.1754      0.41468
     11       4.1362     -0.00000
     12       4.6639     -0.00000
     13       6.0511     -0.00000
     14       6.1454     -0.00000
     15       6.3678     -0.00000
     16       8.2580     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8924      1.00000
      2      -0.8881      1.00000
      3      -0.8618      1.00000
      4      -0.0170      1.00000
      5       0.0803      1.00000
      6       0.0869      1.00000
      7       1.0974      1.00000
      8       1.1062      1.00000
      9       1.7968      1.00000
     10       2.6633      1.00138
     11       4.0790     -0.00000
     12       4.0822     -0.00000
     13       5.9918     -0.00000
     14       5.9989     -0.00000
     15       6.0806     -0.00000
     16       8.0151     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.766   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.766   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.951 -61.929   0.000  -0.151   0.000  -0.000  -0.011  -0.000
-61.929  33.077  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068  -0.000  -0.000  -0.321   0.000   0.000
 -0.151   0.072  -0.000   1.701  -0.000   0.000  -0.261   0.000
  0.000  -0.000  -0.000  -0.000   2.068   0.000   0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261   0.000  -0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.5693: real time    422.6313
    FORNL :  cpu time      0.4980: real time      0.5039
    FORCOR:  cpu time      1.9609: real time      1.9724
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.427E-05 -.196E-05 0.182E+03   0.470E-13 0.286E-13 -.181E+03   -.492E-05 0.232E-05 -.108E+01
   -.927E-07 -.123E-05 0.925E+02   -.139E-14 0.234E-14 -.925E+02   -.297E-06 0.133E-05 -.652E-01
   -.259E-06 -.133E-05 -.248E+00   -.148E-12 -.828E-13 0.235E+00   0.109E-06 0.135E-05 0.212E-01
   0.369E-06 0.221E-05 -.928E+02   0.133E-12 0.797E-13 0.927E+02   -.162E-05 -.262E-05 0.100E+00
   -.386E-05 0.387E-05 -.182E+03   -.401E-13 -.247E-13 0.181E+03   0.493E-05 -.478E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.348E-06 0.162E-05 -.270E-02   -.971E-14 0.313E-14 0.000E+00   -.180E-05 -.241E-05 -.298E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000001     -0.028644
      0.00000      0.00000      2.36394        -0.000000      0.000000      0.007322
      1.42873      0.82488      4.67198        -0.000001     -0.000000      0.009066
      2.85746      1.64976      6.98414        -0.000000      0.000000      0.007688
      0.00000      0.00000      9.36043         0.000002     -0.000001      0.004568
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002     -0.000001     -0.005962


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90386423 eV

  energy  without entropy=      -13.89666254  energy(sigma->0) =      -13.90146367
 
 d Force = 0.3188305E-05[ 0.477E-05, 0.161E-05]  d Energy = 0.5378446E-05-0.219E-05
 d Force =-0.9503793E-02[-0.951E-02,-0.950E-02]  d Ewald  =-0.9503793E-02-0.161E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9558: real time      1.9674


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.104E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1579
 eigenvalue spectrum of G is  0.1579


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0823
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9574: real time      1.9693
    EDDIAG:  cpu time    580.2915: real time    585.2398
    CHARGE:  cpu time      0.2668: real time      0.2689
 writing wavefunctions
     LOOP+:  cpu time   6255.7144: real time   6309.3901


--------------------------------------- Iteration     17(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    581.2240: real time    586.2276
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    583.4581: real time    588.4761

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1186116E-03  (-0.3399083E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008624 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.32228614
  -exchange      EXHF   =        33.27401188
  -V(xc)+E(xc)   XCENC  =       -83.54662215
  PAW double counting   =    101000.78323145  -100899.82523694
  entropy T*S    EENTRO =        -0.00722510
  eigenvalues    EBANDS =       -35.61390983
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374177 eV

  energy without entropy =      -13.89651667  energy(sigma->0) =      -13.90133340
  exchange ACFDT corr.  =        -0.00661869  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2372: real time      1.2427
    TRIAL :  cpu time    581.8408: real time    586.8771
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    584.0695: real time    589.1195

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1036665E-03  (-0.2313604E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008633 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.81334386
  -exchange      EXHF   =        33.27538553
  -V(xc)+E(xc)   XCENC  =       -83.54612015
  PAW double counting   =    101007.00496476  -100906.04700869
  entropy T*S    EENTRO =        -0.00723092
  eigenvalues    EBANDS =       -35.12477287
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384543 eV

  energy without entropy =      -13.89661451  energy(sigma->0) =      -13.90143513
  exchange ACFDT corr.  =        -0.00713973  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7270
    SETDIJ:  cpu time      1.2305: real time      1.2362
    TRIAL :  cpu time    580.0291: real time    584.9760
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    582.2517: real time    587.2126

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1293533E-04  (-0.7868499E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008636 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.93751212
  -exchange      EXHF   =        33.27580180
  -V(xc)+E(xc)   XCENC  =       -83.54596429
  PAW double counting   =    101008.37430790  -100907.41635582
  entropy T*S    EENTRO =        -0.00722398
  eigenvalues    EBANDS =       -35.00115399
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90383250 eV

  energy without entropy =      -13.89660852  energy(sigma->0) =      -13.90142450
  exchange ACFDT corr.  =        -0.00665381  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7270
    SETDIJ:  cpu time      1.2305: real time      1.2360
    TRIAL :  cpu time    579.5295: real time    584.4760
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    581.7518: real time    586.7119

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4018788E-04  (-0.9997155E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008635 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.71847079
  -exchange      EXHF   =        33.27526679
  -V(xc)+E(xc)   XCENC  =       -83.54615714
  PAW double counting   =    101005.58042362  -100904.62245641
  entropy T*S    EENTRO =        -0.00721993
  eigenvalues    EBANDS =       -35.21952972
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387268 eV

  energy without entropy =      -13.89665275  energy(sigma->0) =      -13.90146604
  exchange ACFDT corr.  =        -0.00664346  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2365: real time      1.2418
    TRIAL :  cpu time    583.0014: real time    588.0108
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    585.2301: real time    590.2532

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9365001E-05  (-0.2072306E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008630 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.60185181
  -exchange      EXHF   =        33.27499363
  -V(xc)+E(xc)   XCENC  =       -83.54625402
  PAW double counting   =    101004.48105245  -100903.52308156
  entropy T*S    EENTRO =        -0.00722342
  eigenvalues    EBANDS =       -35.33577703
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386332 eV

  energy without entropy =      -13.89663990  energy(sigma->0) =      -13.90145551
  exchange ACFDT corr.  =        -0.00663804  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7208: real time      0.7267
    SETDIJ:  cpu time      1.2377: real time      1.2432
    TRIAL :  cpu time    582.5292: real time    587.5439
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2659: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    584.7582: real time    589.7865

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1223109E-04  (-0.4357611E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0008623 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.68827638
  -exchange      EXHF   =        33.27525399
  -V(xc)+E(xc)   XCENC  =       -83.54615539
  PAW double counting   =    101006.34398772  -100905.38602458
  entropy T*S    EENTRO =        -0.00722661
  eigenvalues    EBANDS =       -35.24971242
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387555 eV

  energy without entropy =      -13.89664894  energy(sigma->0) =      -13.90146668
  exchange ACFDT corr.  =        -0.00664743  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     17(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7347: real time      0.7416
    SETDIJ:  cpu time      1.2301: real time      1.2356
    TRIAL :  cpu time    582.1596: real time    587.1918
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    578.6234: real time    583.5662
    CHARGE:  cpu time      0.2650: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time   1163.0174: real time   1173.0071

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1256703E-05  (-0.3387823E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008617 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.77289070
  -Hartree energ DENC   =      -703.77286029
  -exchange      EXHF   =        33.27541604
  -V(xc)+E(xc)   XCENC  =       -83.54606801
  PAW double counting   =    101008.33962763  -100907.38167396
  entropy T*S    EENTRO =        -0.00722577
  eigenvalues    EBANDS =       -35.16543524
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387429 eV

  energy without entropy =      -13.89664852  energy(sigma->0) =      -13.90146570
  exchange ACFDT corr.  =        -0.00664780  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0055


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9003       2 -69.7640       3 -69.7486       4 -69.7625       5 -69.8972
 
 
 
 E-fermi :   3.1563     XC(G=0):  -5.1193     alpha+bet : -8.9779

 Fermi energy:         3.1563487588

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8959      1.00000
      2      -9.9615      1.00000
      3      -8.6048      1.00000
      4      -6.7697      1.00000
      5      -4.3147      1.00000
      6      -1.5809      1.00000
      7       1.6588      1.00000
      8       4.6278     -0.00000
      9       5.3996     -0.00000
     10       7.9233     -0.00000
     11       7.9887     -0.00000
     12      11.8875      0.00000
     13      12.1881      0.00000
     14      16.0553      0.00000
     15      16.0769      0.00000
     16      16.1183      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8762      0.00000
     16      14.3201      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8761      0.00000
     16      14.3422      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8762      0.00000
     16      14.3197      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5023      0.00000
     16      12.7656      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5032      0.00000
     16      12.7869      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5039      0.00000
     16      12.8395      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2943      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6034      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2943      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6079      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2943      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6235      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5124      0.00000
     16      10.8249      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5123      0.00000
     16      10.8239      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5123      0.00000
     16      10.8238      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.5172      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.3957      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.4088      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2270      0.00000
     16      10.5372      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2270      0.00000
     16      10.5379      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2269      0.00000
     16      10.5371      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4350      0.00000
     14      11.9008      0.00000
     15      12.0426      0.00000
     16      12.6493      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4350      0.00000
     14      11.9010      0.00000
     15      12.0426      0.00000
     16      12.6434      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4349      0.00000
     14      11.9009      0.00000
     15      12.0428      0.00000
     16      12.6485      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1787      0.00000
     16      10.7380      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7380      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7378      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6209      0.00000
     16      10.1120      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6207      0.00000
     16      10.0545      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6215      0.00000
     16      10.2478      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8882      0.00000
     15       9.6210      0.00000
     16      10.2385      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6207      0.00000
     16      10.0661      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8882      0.00000
     15       9.6666      0.00000
     16      10.1440      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0935      0.00000
     16       9.1449      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0935      0.00000
     16       9.1449      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7098      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7164      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8698      0.00000
     16       9.7126      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7083      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7079      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7130      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0445      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0544      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0445      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7461      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7463      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7462      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7461      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7463      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7461      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8410      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8498      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8619     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8361      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8619     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8770      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8662      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8774      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6984      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6864      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6844      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98972
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.6918      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98973
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.6989      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98972
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.7010      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2395     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2562     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2435     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2447     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2426     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41503
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.4026     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8780      1.00000
      2      -0.8747      1.00000
      3      -0.8486      1.00000
      4      -0.0090      1.00000
      5       0.0860      1.00000
      6       0.0914      1.00000
      7       1.1051      1.00000
      8       1.1114      1.00000
      9       1.7985      1.00000
     10       2.6654      1.00137
     11       4.0845     -0.00000
     12       4.0851     -0.00000
     13       5.9943     -0.00000
     14       6.0018     -0.00000
     15       6.0887     -0.00000
     16       8.0171     -0.00000
 Fermi energy:         3.1563487588

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8959      1.00000
      2      -9.9615      1.00000
      3      -8.6048      1.00000
      4      -6.7697      1.00000
      5      -4.3147      1.00000
      6      -1.5809      1.00000
      7       1.6588      1.00000
      8       4.6278     -0.00000
      9       5.3996     -0.00000
     10       7.9233     -0.00000
     11       7.9887     -0.00000
     12      11.8875      0.00000
     13      12.1881      0.00000
     14      16.0594      0.00000
     15      16.0983      0.00000
     16      16.2454      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8761      0.00000
     16      14.3177      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8761      0.00000
     16      14.3174      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6875      1.00000
      2      -9.7524      1.00000
      3      -8.3947      1.00000
      4      -6.5580      1.00000
      5      -4.0988      1.00000
      6      -1.3709      1.00000
      7       1.8722      1.00000
      8       4.8108     -0.00000
      9       5.5739     -0.00000
     10       8.0912     -0.00000
     11       8.1537     -0.00000
     12      12.0163      0.00000
     13      12.2821      0.00000
     14      13.1192      0.00000
     15      13.8762      0.00000
     16      14.3189      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5055      0.00000
     16      12.8289      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5024      0.00000
     16      12.7654      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0623      1.00000
      2      -9.1251      1.00000
      3      -7.7641      1.00000
      4      -5.9228      1.00000
      5      -3.4525      1.00000
      6      -0.7422      1.00000
      7       2.4970      1.00002
      8       5.3428     -0.00000
      9       6.0918     -0.00000
     10       8.4755     -0.00000
     11       8.6245      0.00000
     12       9.7259      0.00000
     13      10.2936      0.00000
     14      11.3906      0.00000
     15      12.5036      0.00000
     16      12.8011      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2944      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6049      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2944      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6199      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0784      1.00000
      3      -6.7121      1.00000
      4      -4.8642      1.00000
      5      -2.3815      1.00000
      6       0.2944      1.00000
      7       3.4488     -0.02974
      8       5.6437     -0.00000
      9       6.5380     -0.00000
     10       6.8891     -0.00000
     11       7.0393     -0.00000
     12       8.0771     -0.00000
     13       9.3947      0.00000
     14       9.5753      0.00000
     15       9.8052      0.00000
     16      11.6103      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5120      0.00000
     16      10.8240      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5127      0.00000
     16      10.8260      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6101      1.00000
      3      -5.2370      1.00000
      4      -3.3859      1.00000
      5      -0.9167      1.00000
      6       1.5818      1.00000
      7       2.5387      1.00005
      8       3.5496     -0.00930
      9       4.8170     -0.00000
     10       5.1627     -0.00000
     11       6.5104     -0.00000
     12       7.6481     -0.00000
     13       8.2015     -0.00000
     14       8.7272      0.00000
     15      10.5126      0.00000
     16      10.8263      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.4139      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.4351      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6725      1.00000
      2      -4.7175      1.00000
      3      -3.3435      1.00000
      4      -1.5325      1.00000
      5      -0.6786      1.00000
      6       0.1427      1.00000
      7       1.1287      1.00000
      8       2.0315      1.00000
      9       3.6394     -0.00176
     10       3.7463     -0.00013
     11       5.9480     -0.00000
     12       6.7363     -0.00000
     13       8.2418     -0.00000
     14       9.1926      0.00000
     15       9.7400      0.00000
     16      10.4344      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2282      0.00000
     16      10.5424      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2270      0.00000
     16      10.5377      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3729      1.00000
      2      -3.3562      1.00000
      3      -2.4157      1.00000
      4      -2.4133      1.00000
      5      -1.2790      1.00000
      6      -0.8909      1.00000
      7       0.6253      1.00000
      8       1.3704      1.00000
      9       3.3982     -0.03537
     10       3.5460     -0.00996
     11       5.6764     -0.00000
     12       6.0256     -0.00000
     13       8.4354     -0.00000
     14       8.8796      0.00000
     15      10.2274      0.00000
     16      10.5372      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4349      0.00000
     14      11.9008      0.00000
     15      12.0427      0.00000
     16      12.6434      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4349      0.00000
     14      11.9009      0.00000
     15      12.0431      0.00000
     16      12.6345      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2707      1.00000
      2      -9.3342      1.00000
      3      -7.9744      1.00000
      4      -6.1346      1.00000
      5      -3.6677      1.00000
      6      -0.9515      1.00000
      7       2.2917      1.00000
      8       5.1700     -0.00000
      9       5.9206     -0.00000
     10       8.4156     -0.00000
     11       8.4618     -0.00000
     12      11.4195      0.00000
     13      11.4349      0.00000
     14      11.9008      0.00000
     15      12.0464      0.00000
     16      12.7105      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1787      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1787      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4973      1.00000
      3      -7.1331      1.00000
      4      -5.2876      1.00000
      5      -2.8086      1.00000
      6      -0.1172      1.00000
      7       3.0942      0.75661
      8       5.8227     -0.00000
      9       6.5889     -0.00000
     10       7.8482     -0.00000
     11       8.6138     -0.00000
     12       8.9972      0.00000
     13       9.4166      0.00000
     14       9.8504      0.00000
     15      10.1788      0.00000
     16      10.7378      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6206      0.00000
     16      10.0580      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5205     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6207      0.00000
     16      10.1142      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6206      0.00000
     16      10.0827      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6206      0.00000
     16      10.0844      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6213      0.00000
     16      10.2601      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1848      1.00000
      2      -7.2400      1.00000
      3      -5.8695      1.00000
      4      -4.0183      1.00000
      5      -1.5348      1.00000
      6       1.0995      1.00000
      7       3.8202     -0.00002
      8       4.6941     -0.00000
      9       5.4327     -0.00000
     10       6.5206     -0.00000
     11       7.0836     -0.00000
     12       7.6852     -0.00000
     13       8.1711     -0.00000
     14       8.8881      0.00000
     15       9.6206      0.00000
     16      10.1065      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0935      0.00000
     16       9.1449      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0935      0.00000
     16       9.1449      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5115      1.00000
      2      -5.5595      1.00000
      3      -4.1836      1.00000
      4      -2.3397      1.00000
      5       0.0320      1.00000
      6       0.9937      1.00000
      7       1.9965      1.00000
      8       2.9969      0.99164
      9       3.5353     -0.01157
     10       5.1834     -0.00000
     11       5.9290     -0.00000
     12       7.3398     -0.00000
     13       7.9827     -0.00000
     14       8.6470      0.00000
     15       9.0934      0.00000
     16       9.1449      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7080      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7102      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7103      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7083      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7080      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4138      1.00000
      2      -3.4578      1.00000
      3      -2.1005      1.00000
      4      -1.9033      1.00000
      5      -1.0184      1.00000
      6      -0.3632      1.00000
      7       0.6487      1.00000
      8       2.2873      1.00000
      9       2.6706      1.00147
     10       4.7524     -0.00000
     11       4.9069     -0.00000
     12       7.0295     -0.00000
     13       7.4990     -0.00000
     14       8.0264     -0.00000
     15       8.8697      0.00000
     16       9.7147      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0504      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0425      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3937      1.00000
      2      -7.4498      1.00000
      3      -6.0804      1.00000
      4      -4.2296      1.00000
      5      -1.7443      1.00000
      6       0.9080      1.00000
      7       3.9851     -0.00000
      8       6.0164     -0.00000
      9       6.4898     -0.00000
     10       7.2367     -0.00000
     11       7.3171     -0.00000
     12       7.5167     -0.00000
     13       7.5941     -0.00000
     14       8.3902     -0.00000
     15       8.7519      0.00000
     16      10.0475      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7461      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7462      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7463      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7462      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7461      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9308      1.00000
      2      -5.9806      1.00000
      3      -4.6051      1.00000
      4      -2.7546      1.00000
      5      -0.2971      1.00000
      6       2.1664      1.00000
      7       3.1274      0.64582
      8       4.1238     -0.00000
      9       5.0927     -0.00000
     10       5.3693     -0.00000
     11       5.9233     -0.00000
     12       6.5017     -0.00000
     13       7.0140     -0.00000
     14       7.7660     -0.00000
     15       8.4099     -0.00000
     16       8.7463      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8569      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8314      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8619     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8501      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8610      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8532      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0886      1.00000
      3      -2.7154      1.00000
      4      -0.9148      1.00000
      5      -0.0622      1.00000
      6       0.7446      1.00000
      7       1.7189      1.00000
      8       2.6025      1.00030
      9       4.0709     -0.00000
     10       4.2636     -0.00000
     11       4.8618     -0.00000
     12       5.7488     -0.00000
     13       6.6388     -0.00000
     14       7.4113     -0.00000
     15       7.5523     -0.00000
     16       8.8790      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6693      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6687      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7473      1.00000
      2      -2.7303      1.00000
      3      -1.8017      1.00000
      4      -1.7817      1.00000
      5      -0.6650      1.00000
      6      -0.2782      1.00000
      7       1.2253      1.00000
      8       1.9629      1.00000
      9       3.7898     -0.00004
     10       3.9100     -0.00000
     11       4.7238     -0.00000
     12       5.7704     -0.00000
     13       6.3942     -0.00000
     14       6.7670     -0.00000
     15       7.1373     -0.00000
     16       8.6759      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98973
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.6941      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98973
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.6919      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2552      1.00000
      2      -4.2994      1.00000
      3      -2.9234      1.00000
      4      -1.0976      1.00000
      5       1.1649      1.00000
      6       2.0938      1.00000
      7       2.2562      1.00000
      8       3.0001      0.98972
      9       3.4677     -0.02546
     10       4.2394     -0.00000
     11       4.4964     -0.00000
     12       4.8641     -0.00000
     13       6.1983     -0.00000
     14       6.8437     -0.00000
     15       7.2771     -0.00000
     16       8.6939      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2427     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2502     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2471     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2619     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41503
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2468     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1580      1.00000
      2      -2.2054      1.00000
      3      -0.8640      1.00000
      4      -0.6570      1.00000
      5       0.2042      1.00000
      6       0.8188      1.00000
      7       1.7497      1.00000
      8       1.8341      1.00000
      9       2.5786      1.00016
     10       3.1785      0.41502
     11       4.1413     -0.00000
     12       4.6671     -0.00000
     13       6.0530     -0.00000
     14       6.1509     -0.00000
     15       6.3733     -0.00000
     16       8.2594     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8780      1.00000
      2      -0.8747      1.00000
      3      -0.8486      1.00000
      4      -0.0090      1.00000
      5       0.0860      1.00000
      6       0.0914      1.00000
      7       1.1051      1.00000
      8       1.1114      1.00000
      9       1.7985      1.00000
     10       2.6654      1.00137
     11       4.0845     -0.00000
     12       4.0851     -0.00000
     13       5.9943     -0.00000
     14       6.0018     -0.00000
     15       6.0887     -0.00000
     16       8.0176     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000  -0.000   1.880   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.952 -61.930   0.000  -0.152   0.000  -0.000  -0.011  -0.000
-61.930  33.077  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.068   0.000  -0.000  -0.321  -0.000   0.000
 -0.152   0.072   0.000   1.701  -0.000  -0.000  -0.261   0.000
  0.000  -0.000  -0.000  -0.000   2.068   0.000   0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    421.9719: real time    425.0690
    FORNL :  cpu time      0.4967: real time      0.5026
    FORCOR:  cpu time      1.9642: real time      1.9762
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.202E-05 0.306E-05 0.182E+03   0.419E-13 0.294E-13 -.181E+03   -.208E-05 -.365E-05 -.108E+01
   0.108E-05 0.224E-06 0.925E+02   0.568E-14 0.534E-14 -.925E+02   -.185E-05 -.298E-06 -.696E-01
   0.140E-05 0.556E-06 -.240E+00   -.148E-12 -.875E-13 0.225E+00   -.229E-05 -.694E-06 0.203E-01
   0.293E-06 0.205E-05 -.928E+02   0.135E-12 0.830E-13 0.927E+02   -.738E-06 -.243E-05 0.103E+00
   -.209E-05 0.146E-05 -.182E+03   -.443E-13 -.271E-13 0.181E+03   0.225E-05 -.140E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.363E-05 0.816E-05 -.879E-02   -.971E-14 0.313E-14 -.284E-13   -.471E-05 -.848E-05 -.278E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.026019
      0.00000      0.00000      2.36450        -0.000000      0.000000      0.004749
      1.42873      0.82488      4.67243        -0.000002     -0.000001      0.006699
      2.85746      1.64976      6.98434         0.000001      0.000000      0.007757
      0.00000      0.00000      9.36060         0.000001      0.000000      0.006813
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001     -0.011900


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90387429 eV

  energy  without entropy=      -13.89664852  energy(sigma->0) =      -13.90146570
 
 d Force = 0.9400398E-05[ 0.834E-05, 0.105E-04]  d Energy = 0.1006183E-04-0.661E-06
 d Force =-0.3552920E-02[-0.356E-02,-0.355E-02]  d Ewald  =-0.3552920E-02-0.693E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9598: real time      1.9720


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.840E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.5037
 eigenvalue spectrum of G is  0.0894  2.9180


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0801
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0852
    POTLOK:  cpu time      1.9591: real time      1.9711
    EDDIAG:  cpu time    579.6916: real time    584.6961
    CHARGE:  cpu time      0.2656: real time      0.2678
 writing wavefunctions
     LOOP+:  cpu time   5673.8796: real time   5722.3113


--------------------------------------- Iteration     18(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2305: real time      1.2362
    TRIAL :  cpu time    578.9518: real time    583.8959
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    581.1843: real time    586.1435

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3438436E-03  (-0.1108417E-02)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008665 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.35623379
  -exchange      EXHF   =        33.27360426
  -V(xc)+E(xc)   XCENC  =       -83.54676825
  PAW double counting   =    101002.71136114  -100901.75334176
  entropy T*S    EENTRO =        -0.00729745
  eigenvalues    EBANDS =       -35.55786632
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90353171 eV

  energy without entropy =      -13.89623426  energy(sigma->0) =      -13.90109922
  exchange ACFDT corr.  =        -0.00666057  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7278
    SETDIJ:  cpu time      1.2316: real time      1.2371
    TRIAL :  cpu time    581.9682: real time    586.9346
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    584.1915: real time    589.1721

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3919263E-04  (-0.6711600E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008678 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.81476815
  -exchange      EXHF   =        33.27475214
  -V(xc)+E(xc)   XCENC  =       -83.54635162
  PAW double counting   =    101008.33860285  -100907.38064068
  entropy T*S    EENTRO =        -0.00730648
  eigenvalues    EBANDS =       -35.10085689
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90357090 eV

  energy without entropy =      -13.89626441  energy(sigma->0) =      -13.90113540
  exchange ACFDT corr.  =        -0.00717229  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7276
    SETDIJ:  cpu time      1.2326: real time      1.2379
    TRIAL :  cpu time    582.3197: real time    587.3108
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.5443: real time    589.5492

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2427575E-03  (-0.7265491E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008691 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.91181266
  -exchange      EXHF   =        33.27495093
  -V(xc)+E(xc)   XCENC  =       -83.54627887
  PAW double counting   =    101008.36740529  -100907.40943612
  entropy T*S    EENTRO =        -0.00730172
  eigenvalues    EBANDS =       -35.00432464
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381366 eV

  energy without entropy =      -13.89651193  energy(sigma->0) =      -13.90137975
  exchange ACFDT corr.  =        -0.00669531  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    580.3481: real time    585.2629
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    582.5721: real time    587.5006

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3133621E-04  (-0.1447670E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008702 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.69132384
  -exchange      EXHF   =        33.27435443
  -V(xc)+E(xc)   XCENC  =       -83.54649944
  PAW double counting   =    101004.34610361  -100903.38810242
  entropy T*S    EENTRO =        -0.00729828
  eigenvalues    EBANDS =       -35.22406451
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384499 eV

  energy without entropy =      -13.89654672  energy(sigma->0) =      -13.90141223
  exchange ACFDT corr.  =        -0.00668597  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7267
    SETDIJ:  cpu time      1.2318: real time      1.2372
    TRIAL :  cpu time    581.9201: real time    586.8714
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2660: real time      0.2682
    --------------------------------------------
      LOOP:  cpu time    584.1436: real time    589.1086

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4561240E-05  (-0.1018134E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008708 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.58155753
  -exchange      EXHF   =        33.27411953
  -V(xc)+E(xc)   XCENC  =       -83.54658901
  PAW double counting   =    101002.21543660  -100901.25744712
  entropy T*S    EENTRO =        -0.00730127
  eigenvalues    EBANDS =       -35.33349352
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384043 eV

  energy without entropy =      -13.89653917  energy(sigma->0) =      -13.90140668
  exchange ACFDT corr.  =        -0.00668159  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7273
    SETDIJ:  cpu time      1.2316: real time      1.2370
    TRIAL :  cpu time    582.2728: real time    587.2151
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    584.4964: real time    589.4524

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4747589E-04  (-0.3916798E-05)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008709 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.66851539
  -exchange      EXHF   =        33.27443370
  -V(xc)+E(xc)   XCENC  =       -83.54647548
  PAW double counting   =    101003.07803146  -100902.12004839
  entropy T*S    EENTRO =        -0.00730379
  eigenvalues    EBANDS =       -35.24700143
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388791 eV

  energy without entropy =      -13.89658412  energy(sigma->0) =      -13.90145331
  exchange ACFDT corr.  =        -0.00669420  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7207: real time      0.7268
    SETDIJ:  cpu time      1.2318: real time      1.2373
    TRIAL :  cpu time    582.0999: real time    587.0864
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2646: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    584.3217: real time    589.3220

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3655688E-05  (-0.2535514E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008706 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.75514707
  -exchange      EXHF   =        33.27472549
  -V(xc)+E(xc)   XCENC  =       -83.54636948
  PAW double counting   =    101004.48632117  -100903.52834569
  entropy T*S    EENTRO =        -0.00730281
  eigenvalues    EBANDS =       -35.16075379
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388425 eV

  energy without entropy =      -13.89658144  energy(sigma->0) =      -13.90144998
  exchange ACFDT corr.  =        -0.00669231  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2307: real time      1.2362
    TRIAL :  cpu time    578.8849: real time    583.7975
    CORREC:  cpu time      0.0043: real time      0.0043
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    581.1091: real time    586.0356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3944690E-05  (-0.1315159E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008701 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.73741707
  -exchange      EXHF   =        33.27469969
  -V(xc)+E(xc)   XCENC  =       -83.54637907
  PAW double counting   =    101004.94373099  -100903.98575259
  entropy T*S    EENTRO =        -0.00730130
  eigenvalues    EBANDS =       -35.17845624
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388820 eV

  energy without entropy =      -13.89658690  energy(sigma->0) =      -13.90145443
  exchange ACFDT corr.  =        -0.00669188  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     18(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7205: real time      0.7266
    SETDIJ:  cpu time      1.2315: real time      1.2370
    TRIAL :  cpu time    580.4258: real time    585.4366
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    576.6670: real time    581.5750
    CHARGE:  cpu time      0.2654: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time   1159.3148: real time   1169.2475

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5859591E-05  (-0.3575807E-06)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0008695 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.75160465
  -Hartree energ DENC   =      -703.68914357
  -exchange      EXHF   =        33.27453985
  -V(xc)+E(xc)   XCENC  =       -83.54642920
  PAW double counting   =    101005.09920408  -100904.14121632
  entropy T*S    EENTRO =        -0.00730162
  eigenvalues    EBANDS =       -35.22655876
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389406 eV

  energy without entropy =      -13.89659243  energy(sigma->0) =      -13.90146018
  exchange ACFDT corr.  =        -0.00668987  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9517


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8939       2 -69.7697       3 -69.7628       4 -69.7721       5 -69.8959
 
 
 
 E-fermi :   3.1567     XC(G=0):  -5.1195     alpha+bet : -8.9779

 Fermi energy:         3.1566928087

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9055      1.00000
      2      -9.9629      1.00000
      3      -8.6064      1.00000
      4      -6.7739      1.00000
      5      -4.3176      1.00000
      6      -1.5836      1.00000
      7       1.6572      1.00000
      8       4.6269     -0.00000
      9       5.4046     -0.00000
     10       7.9259     -0.00000
     11       7.9898     -0.00000
     12      11.8887      0.00000
     13      12.1889      0.00000
     14      16.0444      0.00000
     15      16.0634      0.00000
     16      16.0970      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8744      0.00000
     16      14.3094      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8743      0.00000
     16      14.3256      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8743      0.00000
     16      14.3091      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5027      0.00000
     16      12.7624      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5036      0.00000
     16      12.7829      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5042      0.00000
     16      12.8317      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.5999      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.6039      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.6176      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5135      0.00000
     16      10.8246      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5135      0.00000
     16      10.8240      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5135      0.00000
     16      10.8244      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.4928      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.3855      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.3963      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2171      0.00000
     16      10.5346      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2171      0.00000
     16      10.5350      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2170      0.00000
     16      10.5344      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4265      0.00000
     14      11.8992      0.00000
     15      12.0428      0.00000
     16      12.6464      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4265      0.00000
     14      11.8994      0.00000
     15      12.0427      0.00000
     16      12.6403      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4264      0.00000
     14      11.8994      0.00000
     15      12.0428      0.00000
     16      12.6455      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7361      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7361      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6184      0.00000
     16      10.0970      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6184      0.00000
     16      10.0515      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8805      0.00000
     15       9.6189      0.00000
     16      10.2449      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8805      0.00000
     15       9.6186      0.00000
     16      10.2338      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6183      0.00000
     16      10.0602      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8805      0.00000
     15       9.6413      0.00000
     16      10.1249      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0978      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0978      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7081      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7138      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7096      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7067      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7065      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7099      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0442      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0552      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0458      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7506      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7508      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4089     -0.00000
     16       8.7507      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4089     -0.00000
     16       8.7507      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7508      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7506      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8362      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8451      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8309      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8742      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8622      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8744      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6894      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6791      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6773      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6897      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6962      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6979      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41598
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2371     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2514     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2407     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2417     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2399     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41598
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.3941     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8850      1.00000
      3      -0.8583      1.00000
      4      -0.0131      1.00000
      5       0.0865      1.00000
      6       0.0905      1.00000
      7       1.1031      1.00000
      8       1.1079      1.00000
      9       1.7982      1.00000
     10       2.6628      1.00133
     11       4.0795     -0.00000
     12       4.0817     -0.00000
     13       5.9924     -0.00000
     14       5.9995     -0.00000
     15       6.0839     -0.00000
     16       8.0150     -0.00000
 Fermi energy:         3.1566928087

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9055      1.00000
      2      -9.9629      1.00000
      3      -8.6064      1.00000
      4      -6.7739      1.00000
      5      -4.3176      1.00000
      6      -1.5836      1.00000
      7       1.6572      1.00000
      8       4.6269     -0.00000
      9       5.4046     -0.00000
     10       7.9259     -0.00000
     11       7.9899     -0.00000
     12      11.8887      0.00000
     13      12.1889      0.00000
     14      16.0492      0.00000
     15      16.0781      0.00000
     16      16.2195      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8743      0.00000
     16      14.3077      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8743      0.00000
     16      14.3075      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6971      1.00000
      2      -9.7538      1.00000
      3      -8.3963      1.00000
      4      -6.5622      1.00000
      5      -4.1017      1.00000
      6      -1.3736      1.00000
      7       1.8706      1.00000
      8       4.8099     -0.00000
      9       5.5789     -0.00000
     10       8.0938     -0.00000
     11       8.1548     -0.00000
     12      12.0173      0.00000
     13      12.2825      0.00000
     14      13.1099      0.00000
     15      13.8743      0.00000
     16      14.3085      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5057      0.00000
     16      12.8234      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5028      0.00000
     16      12.7626      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0719      1.00000
      2      -9.1264      1.00000
      3      -7.7658      1.00000
      4      -5.9271      1.00000
      5      -3.4553      1.00000
      6      -0.7450      1.00000
      7       2.4954      1.00002
      8       5.3420     -0.00000
      9       6.0967     -0.00000
     10       8.4761     -0.00000
     11       8.6263      0.00000
     12       9.7173      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5039      0.00000
     16      12.7967      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.6012      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.6145      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0293      1.00000
      2      -8.0798      1.00000
      3      -6.7137      1.00000
      4      -4.8685      1.00000
      5      -2.3844      1.00000
      6       0.2915      1.00000
      7       3.4468     -0.02969
      8       5.6383     -0.00000
      9       6.5359     -0.00000
     10       6.8869     -0.00000
     11       7.0427     -0.00000
     12       8.0756     -0.00000
     13       9.3955      0.00000
     14       9.5743      0.00000
     15       9.8044      0.00000
     16      11.6060      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5132      0.00000
     16      10.8245      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5138      0.00000
     16      10.8266      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5673      1.00000
      2      -6.6114      1.00000
      3      -5.2386      1.00000
      4      -3.3903      1.00000
      5      -0.9197      1.00000
      6       1.5778      1.00000
      7       2.5308      1.00005
      8       3.5485     -0.00903
      9       4.8164     -0.00000
     10       5.1595     -0.00000
     11       6.5061     -0.00000
     12       7.6472     -0.00000
     13       8.2064     -0.00000
     14       8.7242      0.00000
     15      10.5138      0.00000
     16      10.8267      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.3996      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.4166      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6822      1.00000
      2      -4.7189      1.00000
      3      -3.3452      1.00000
      4      -1.5369      1.00000
      5      -0.6888      1.00000
      6       0.1410      1.00000
      7       1.1271      1.00000
      8       2.0298      1.00000
      9       3.6360     -0.00180
     10       3.7423     -0.00014
     11       5.9450     -0.00000
     12       6.7345     -0.00000
     13       8.2391     -0.00000
     14       9.1917      0.00000
     15       9.7447      0.00000
     16      10.4160      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2175      0.00000
     16      10.5378      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2171      0.00000
     16      10.5349      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3827      1.00000
      2      -3.3661      1.00000
      3      -2.4162      1.00000
      4      -2.4157      1.00000
      5      -1.2813      1.00000
      6      -0.8921      1.00000
      7       0.6217      1.00000
      8       1.3661      1.00000
      9       3.3964     -0.03536
     10       3.5418     -0.00993
     11       5.6739     -0.00000
     12       6.0227     -0.00000
     13       8.4337     -0.00000
     14       8.8774      0.00000
     15      10.2173      0.00000
     16      10.5346      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4264      0.00000
     14      11.8993      0.00000
     15      12.0428      0.00000
     16      12.6409      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4264      0.00000
     14      11.8993      0.00000
     15      12.0432      0.00000
     16      12.6331      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2804      1.00000
      2      -9.3356      1.00000
      3      -7.9760      1.00000
      4      -6.1388      1.00000
      5      -3.6706      1.00000
      6      -0.9542      1.00000
      7       2.2901      1.00000
      8       5.1692     -0.00000
      9       5.9256     -0.00000
     10       8.4181     -0.00000
     11       8.4629     -0.00000
     12      11.4093      0.00000
     13      11.4264      0.00000
     14      11.8992      0.00000
     15      12.0458      0.00000
     16      12.7069      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4465      1.00000
      2      -8.4987      1.00000
      3      -7.1348      1.00000
      4      -5.2919      1.00000
      5      -2.8115      1.00000
      6      -0.1200      1.00000
      7       3.0925      0.75555
      8       5.8217     -0.00000
      9       6.5935     -0.00000
     10       7.8411     -0.00000
     11       8.6117     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8492      0.00000
     15      10.1709      0.00000
     16      10.7360      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6183      0.00000
     16      10.0546      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8805      0.00000
     15       9.6184      0.00000
     16      10.1014      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6183      0.00000
     16      10.0718      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6183      0.00000
     16      10.0731      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8805      0.00000
     15       9.6188      0.00000
     16      10.2597      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1944      1.00000
      2      -7.2414      1.00000
      3      -5.8712      1.00000
      4      -4.0227      1.00000
      5      -1.5377      1.00000
      6       1.0966      1.00000
      7       3.8144     -0.00002
      8       4.6900     -0.00000
      9       5.4310     -0.00000
     10       6.5179     -0.00000
     11       7.0826     -0.00000
     12       7.6898     -0.00000
     13       8.1672     -0.00000
     14       8.8804      0.00000
     15       9.6183      0.00000
     16      10.0968      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0978      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5212      1.00000
      2      -5.5608      1.00000
      3      -4.1852      1.00000
      4      -2.3441      1.00000
      5       0.0283      1.00000
      6       0.9850      1.00000
      7       1.9950      1.00000
      8       2.9954      0.99121
      9       3.5328     -0.01140
     10       5.1789     -0.00000
     11       5.9268     -0.00000
     12       7.3359     -0.00000
     13       7.9781     -0.00000
     14       8.6443      0.00000
     15       9.0977      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7065      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7084      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7085      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7068      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7065      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4236      1.00000
      2      -3.4592      1.00000
      3      -2.1024      1.00000
      4      -1.9129      1.00000
      5      -1.0206      1.00000
      6      -0.3665      1.00000
      7       0.6469      1.00000
      8       2.2848      1.00000
      9       2.6660      1.00145
     10       4.7496     -0.00000
     11       4.9037     -0.00000
     12       7.0254     -0.00000
     13       7.4949     -0.00000
     14       8.0228     -0.00000
     15       8.8679      0.00000
     16       9.7120      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0500      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0427      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4034      1.00000
      2      -7.4512      1.00000
      3      -6.0820      1.00000
      4      -4.2339      1.00000
      5      -1.7472      1.00000
      6       0.9052      1.00000
      7       3.9829     -0.00000
      8       6.0105     -0.00000
      9       6.4833     -0.00000
     10       7.2339     -0.00000
     11       7.3118     -0.00000
     12       7.5171     -0.00000
     13       7.5974     -0.00000
     14       8.3891     -0.00000
     15       8.7493      0.00000
     16      10.0474      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7506      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64668
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4089     -0.00000
     16       8.7507      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64668
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7508      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64667
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7507      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64668
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4089     -0.00000
     16       8.7506      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9405      1.00000
      2      -5.9820      1.00000
      3      -4.6068      1.00000
      4      -2.7590      1.00000
      5      -0.3002      1.00000
      6       2.1624      1.00000
      7       3.1195      0.64668
      8       4.1225     -0.00000
      9       5.0861     -0.00000
     10       5.3674     -0.00000
     11       5.9200     -0.00000
     12       6.4996     -0.00000
     13       7.0104     -0.00000
     14       7.7635     -0.00000
     15       8.4088     -0.00000
     16       8.7508      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8529      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8264      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8455      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8570      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8485      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0545      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9192      1.00000
      5      -0.0724      1.00000
      6       0.7429      1.00000
      7       1.7171      1.00000
      8       2.6006      1.00031
      9       4.0684     -0.00000
     10       4.2575     -0.00000
     11       4.8540     -0.00000
     12       5.7473     -0.00000
     13       6.6382     -0.00000
     14       7.4096     -0.00000
     15       7.5491     -0.00000
     16       8.8763      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6646      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6642      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7571      1.00000
      2      -2.7401      1.00000
      3      -1.8044      1.00000
      4      -1.7820      1.00000
      5      -0.6672      1.00000
      6      -0.2796      1.00000
      7       1.2217      1.00000
      8       1.9587      1.00000
      9       3.7880     -0.00004
     10       3.9029     -0.00000
     11       4.7173     -0.00000
     12       5.7694     -0.00000
     13       6.3929     -0.00000
     14       6.7642     -0.00000
     15       7.1347     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6917      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6898      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2649      1.00000
      2      -4.3008      1.00000
      3      -2.9251      1.00000
      4      -1.1020      1.00000
      5       1.1608      1.00000
      6       2.0840      1.00000
      7       2.2481      1.00000
      8       2.9975      0.98798
      9       3.4682     -0.02499
     10       4.2382     -0.00000
     11       4.4928     -0.00000
     12       4.8622     -0.00000
     13       6.1949     -0.00000
     14       6.8393     -0.00000
     15       7.2748     -0.00000
     16       8.6915      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2399     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41598
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2464     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2437     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2563     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41598
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2435     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1678      1.00000
      2      -2.2068      1.00000
      3      -0.8661      1.00000
      4      -0.6664      1.00000
      5       0.2019      1.00000
      6       0.8155      1.00000
      7       1.7409      1.00000
      8       1.8306      1.00000
      9       2.5776      1.00017
     10       3.1763      0.41597
     11       4.1377     -0.00000
     12       4.6656     -0.00000
     13       6.0516     -0.00000
     14       6.1465     -0.00000
     15       6.3690     -0.00000
     16       8.2541     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8875      1.00000
      2      -0.8850      1.00000
      3      -0.8583      1.00000
      4      -0.0131      1.00000
      5       0.0865      1.00000
      6       0.0905      1.00000
      7       1.1031      1.00000
      8       1.1079      1.00000
      9       1.7982      1.00000
     10       2.6628      1.00133
     11       4.0795     -0.00000
     12       4.0817     -0.00000
     13       5.9924     -0.00000
     14       5.9995     -0.00000
     15       6.0839     -0.00000
     16       8.0154     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.953 -61.930   0.000  -0.156   0.000  -0.000  -0.010  -0.000
-61.930  33.077  -0.000   0.074  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067   0.000  -0.000  -0.321  -0.000   0.000
 -0.156   0.074   0.000   1.699   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    421.3505: real time    424.4147
    FORNL :  cpu time      0.4996: real time      0.5055
    FORCOR:  cpu time      1.9538: real time      1.9655
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.269E-05 0.618E-06 0.182E+03   0.448E-13 0.252E-13 -.181E+03   -.294E-05 -.103E-06 -.107E+01
   0.425E-05 0.167E-05 0.926E+02   0.176E-14 0.806E-14 -.925E+02   -.546E-05 -.164E-05 -.802E-01
   0.343E-05 0.215E-05 -.211E+00   -.151E-12 -.913E-13 0.208E+00   -.503E-05 -.214E-05 0.191E-01
   0.204E-05 0.199E-05 -.928E+02   0.139E-12 0.906E-13 0.927E+02   -.217E-05 -.239E-05 0.108E+00
   -.226E-05 -.359E-05 -.182E+03   -.448E-13 -.295E-13 0.181E+03   0.233E-05 0.416E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.116E-04 0.336E-05 0.167E-01   -.971E-14 0.313E-14 0.568E-13   -.133E-04 -.211E-05 -.507E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000001     -0.035008
      0.00000      0.00000      2.36614        -0.000000     -0.000000     -0.008400
      1.42873      0.82488      4.67350        -0.000001     -0.000000      0.012936
      2.85746      1.64976      6.98471         0.000001     -0.000000      0.024203
      0.00000      0.00000      9.36136        -0.000000     -0.000000      0.006270
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000001      0.011126


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90389406 eV

  energy  without entropy=      -13.89659243  energy(sigma->0) =      -13.90146018
 
 d Force = 0.1837418E-04[ 0.138E-04, 0.230E-04]  d Energy = 0.1976269E-04-0.139E-05
 d Force = 0.2128605E-01[ 0.212E-01, 0.213E-01]  d Ewald  = 0.2128605E-01-0.166E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9515: real time      1.9636


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.416E-04   g(Stress)= 0.000E+00

 retain information from N=  3 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.6840
 eigenvalue spectrum of G is  7.9479  0.3659  2.7381


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0757
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9514: real time      1.9638
    EDDIAG:  cpu time    576.0162: real time    580.9422
    CHARGE:  cpu time      0.2653: real time      0.2674
 writing wavefunctions
     LOOP+:  cpu time   6830.8964: real time   6888.8830


--------------------------------------- Iteration     19(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7269
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    580.7927: real time    585.7972
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    583.0261: real time    588.0449

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8972966E-03  (-0.3025869E-02)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008788 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -704.15369685
  -exchange      EXHF   =        33.27529791
  -V(xc)+E(xc)   XCENC  =       -83.54614525
  PAW double counting   =    101009.29478989  -100908.33683985
  entropy T*S    EENTRO =        -0.00741242
  eigenvalues    EBANDS =       -34.79045470
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90299090 eV

  energy without entropy =      -13.89557848  energy(sigma->0) =      -13.90052009
  exchange ACFDT corr.  =        -0.00677521  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2304: real time      1.2362
    TRIAL :  cpu time    580.7491: real time    585.7655
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    582.9707: real time    588.0014

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1250597E-03  (-0.2279849E-02)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008776 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.68577958
  -exchange      EXHF   =        33.27369891
  -V(xc)+E(xc)   XCENC  =       -83.54673566
  PAW double counting   =    101003.15008538  -100902.19207587
  entropy T*S    EENTRO =        -0.00741586
  eigenvalues    EBANDS =       -35.25612520
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90286584 eV

  energy without entropy =      -13.89544999  energy(sigma->0) =      -13.90039389
  exchange ACFDT corr.  =        -0.00675302  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7273
    SETDIJ:  cpu time      1.2308: real time      1.2363
    TRIAL :  cpu time    582.0447: real time    587.0390
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    584.2665: real time    589.2748

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8740785E-03  (-0.5597582E-04)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008778 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.54432477
  -exchange      EXHF   =        33.27300853
  -V(xc)+E(xc)   XCENC  =       -83.54700051
  PAW double counting   =    101001.76152361  -100900.80350539
  entropy T*S    EENTRO =        -0.00742527
  eigenvalues    EBANDS =       -35.39750414
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90373992 eV

  energy without entropy =      -13.89631465  energy(sigma->0) =      -13.90126483
  exchange ACFDT corr.  =        -0.00674984  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2314: real time      1.2367
    TRIAL :  cpu time    578.3211: real time    583.2838
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    580.5444: real time    585.5208

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7771028E-05  (-0.4771092E-03)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008789 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.71624338
  -exchange      EXHF   =        33.27332702
  -V(xc)+E(xc)   XCENC  =       -83.54690080
  PAW double counting   =    101003.54060097  -100902.58260795
  entropy T*S    EENTRO =        -0.00742908
  eigenvalues    EBANDS =       -35.22597687
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90374769 eV

  energy without entropy =      -13.89631861  energy(sigma->0) =      -13.90127133
  exchange ACFDT corr.  =        -0.00677263  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2316: real time      1.2371
    TRIAL :  cpu time    582.4133: real time    587.3848
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    584.6365: real time    589.6216

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3831708E-05  (-0.3073180E-03)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0008799 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.81542425
  -exchange      EXHF   =        33.27364815
  -V(xc)+E(xc)   XCENC  =       -83.54680099
  PAW double counting   =    101003.95849565  -100903.00051136
  entropy T*S    EENTRO =        -0.00742619
  eigenvalues    EBANDS =       -35.12720824
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90375152 eV

  energy without entropy =      -13.89632533  energy(sigma->0) =      -13.90127612
  exchange ACFDT corr.  =        -0.00676800  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    583.0278: real time    588.0326
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    585.2509: real time    590.2695

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1348281E-03  (-0.1064150E-05)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008803 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.75562653
  -exchange      EXHF   =        33.27363470
  -V(xc)+E(xc)   XCENC  =       -83.54681679
  PAW double counting   =    101002.69412851  -100901.73613322
  entropy T*S    EENTRO =        -0.00742319
  eigenvalues    EBANDS =       -35.18712543
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388635 eV

  energy without entropy =      -13.89646316  energy(sigma->0) =      -13.90141195
  exchange ACFDT corr.  =        -0.00676661  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7270
    SETDIJ:  cpu time      1.2299: real time      1.2358
    TRIAL :  cpu time    582.8947: real time    587.9166
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time    585.1158: real time    590.1518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1052213E-04  (-0.7929081E-04)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008801 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.69670787
  -exchange      EXHF   =        33.27360553
  -V(xc)+E(xc)   XCENC  =       -83.54683179
  PAW double counting   =    101001.92534042  -100900.96733497
  entropy T*S    EENTRO =        -0.00742403
  eigenvalues    EBANDS =       -35.24600256
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387583 eV

  energy without entropy =      -13.89645180  energy(sigma->0) =      -13.90140115
  exchange ACFDT corr.  =        -0.00676504  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7273
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    580.7971: real time    585.7644
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2663: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    583.0216: real time    588.0027

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8474046E-05  (-0.3878390E-04)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008793 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.72159718
  -exchange      EXHF   =        33.27374679
  -V(xc)+E(xc)   XCENC  =       -83.54678015
  PAW double counting   =    101002.86341862  -100901.90541695
  entropy T*S    EENTRO =        -0.00742623
  eigenvalues    EBANDS =       -35.22130999
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388430 eV

  energy without entropy =      -13.89645807  energy(sigma->0) =      -13.90140889
  exchange ACFDT corr.  =        -0.00676796  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7274
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    585.4563: real time    590.4264
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2654: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    587.6788: real time    592.6627

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1819103E-04  (-0.7472506E-06)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008782 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.76540288
  -exchange      EXHF   =        33.27388614
  -V(xc)+E(xc)   XCENC  =       -83.54672748
  PAW double counting   =    101004.63659825  -100903.67858677
  entropy T*S    EENTRO =        -0.00742737
  eigenvalues    EBANDS =       -35.17772212
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390249 eV

  energy without entropy =      -13.89647512  energy(sigma->0) =      -13.90142670
  exchange ACFDT corr.  =        -0.00677192  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2349: real time      1.2403
    TRIAL :  cpu time    580.4017: real time    585.3671
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    582.6293: real time    587.6084

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1530105E-05  (-0.1318046E-04)
 number of electron      15.0000000 magnetization      -0.0000010
 augmentation part       -0.0008770 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.76440835
  -exchange      EXHF   =        33.27387373
  -V(xc)+E(xc)   XCENC  =       -83.54672988
  PAW double counting   =    101006.21647804  -100905.25847369
  entropy T*S    EENTRO =        -0.00742780
  eigenvalues    EBANDS =       -35.17869204
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390096 eV

  energy without entropy =      -13.89647316  energy(sigma->0) =      -13.90142503
  exchange ACFDT corr.  =        -0.00677342  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     19(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7284
    SETDIJ:  cpu time      1.2394: real time      1.2448
    TRIAL :  cpu time    582.5279: real time    587.5283
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    585.1233: real time    590.0581
    CHARGE:  cpu time      0.2652: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1169.8827: real time   1179.8321

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2371598E-05  (-0.4620709E-05)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0008760 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.78009435
  -Hartree energ DENC   =      -703.74015456
  -exchange      EXHF   =        33.27377251
  -V(xc)+E(xc)   XCENC  =       -83.54675826
  PAW double counting   =    101007.41001461  -100906.45200028
  entropy T*S    EENTRO =        -0.00742853
  eigenvalues    EBANDS =       -35.20284942
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390333 eV

  energy without entropy =      -13.89647480  energy(sigma->0) =      -13.90142716
  exchange ACFDT corr.  =        -0.00677353  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0081


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9042       2 -69.7747       3 -69.7579       4 -69.7633       5 -69.8876
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1196     alpha+bet : -8.9779

 Fermi energy:         3.1569007775

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9043      1.00000
      2      -9.9590      1.00000
      3      -8.6039      1.00000
      4      -6.7749      1.00000
      5      -4.3166      1.00000
      6      -1.5828      1.00000
      7       1.6592      1.00000
      8       4.6253     -0.00000
      9       5.4029     -0.00000
     10       7.9249     -0.00000
     11       7.9891     -0.00000
     12      11.8881      0.00000
     13      12.1884      0.00000
     14      16.0448      0.00000
     15      16.0594      0.00000
     16      16.0873      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8774      0.00000
     16      14.3097      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8774      0.00000
     16      14.3198      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8774      0.00000
     16      14.3095      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5023      0.00000
     16      12.7615      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5029      0.00000
     16      12.7797      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5035      0.00000
     16      12.8270      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6387     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6007      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6388     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6043      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6387     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6169      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3913      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5127      0.00000
     16      10.8233      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3913      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5127      0.00000
     16      10.8227      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3913      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5127      0.00000
     16      10.8230      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00186
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.4707      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00186
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.3862      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00185
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.3936      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2181      0.00000
     16      10.5343      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2181      0.00000
     16      10.5345      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2181      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9016      0.00000
     15      12.0464      0.00000
     16      12.6437      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9017      0.00000
     15      12.0464      0.00000
     16      12.6377      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9016      0.00000
     15      12.0465      0.00000
     16      12.6439      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7392      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6883     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0859      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0502      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6219      0.00000
     16      10.2390      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6217      0.00000
     16      10.2267      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0568      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6883     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6310      0.00000
     16      10.1099      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7087      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7133      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8716      0.00000
     16       9.7097      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7077      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7075      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7096      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0422      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0533      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0445      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65038
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65038
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65038
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4114     -0.00000
     15       7.5509     -0.00000
     16       8.8351      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8450      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8296      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4114     -0.00000
     15       7.5509     -0.00000
     16       8.8742      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4114     -0.00000
     15       7.5509     -0.00000
     16       8.8601      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4114     -0.00000
     15       7.5509     -0.00000
     16       8.8732      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6829      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6749      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6734      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6890      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6950      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6964      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2380     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2490     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41711
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2410     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41711
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2415     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41711
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2402     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.3855     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8867      1.00000
      2      -0.8836      1.00000
      3      -0.8578      1.00000
      4      -0.0102      1.00000
      5       0.0903      1.00000
      6       0.0957      1.00000
      7       1.1048      1.00000
      8       1.1127      1.00000
      9       1.7995      1.00000
     10       2.6614      1.00128
     11       4.0767     -0.00000
     12       4.0823     -0.00000
     13       5.9940     -0.00000
     14       5.9982     -0.00000
     15       6.0864     -0.00000
     16       8.0150     -0.00000
 Fermi energy:         3.1569007775

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9043      1.00000
      2      -9.9590      1.00000
      3      -8.6039      1.00000
      4      -6.7749      1.00000
      5      -4.3166      1.00000
      6      -1.5828      1.00000
      7       1.6592      1.00000
      8       4.6253     -0.00000
      9       5.4029     -0.00000
     10       7.9249     -0.00000
     11       7.9891     -0.00000
     12      11.8881      0.00000
     13      12.1884      0.00000
     14      16.0498      0.00000
     15      16.0711      0.00000
     16      16.1999      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8774      0.00000
     16      14.3087      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8774      0.00000
     16      14.3085      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6959      1.00000
      2      -9.7500      1.00000
      3      -8.3938      1.00000
      4      -6.5632      1.00000
      5      -4.1007      1.00000
      6      -1.3729      1.00000
      7       1.8725      1.00000
      8       4.8083     -0.00000
      9       5.5773     -0.00000
     10       8.0927     -0.00000
     11       8.1541     -0.00000
     12      12.0169      0.00000
     13      12.2819      0.00000
     14      13.1113      0.00000
     15      13.8775      0.00000
     16      14.3092      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5047      0.00000
     16      12.8171      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5023      0.00000
     16      12.7617      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0707      1.00000
      2      -9.1226      1.00000
      3      -7.7632      1.00000
      4      -5.9281      1.00000
      5      -3.4544      1.00000
      6      -0.7443      1.00000
      7       2.4972      1.00002
      8       5.3405     -0.00000
      9       6.0951     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7182      0.00000
     13      10.2954      0.00000
     14      11.3917      0.00000
     15      12.5032      0.00000
     16      12.7925      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6387     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6019      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6387     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6140      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0281      1.00000
      2      -8.0759      1.00000
      3      -6.7112      1.00000
      4      -4.8696      1.00000
      5      -2.3835      1.00000
      6       0.2922      1.00000
      7       3.4484     -0.02951
      8       5.6387     -0.00000
      9       6.5350     -0.00000
     10       6.8902     -0.00000
     11       7.0413     -0.00000
     12       8.0780     -0.00000
     13       9.3943      0.00000
     14       9.5733      0.00000
     15       9.8041      0.00000
     16      11.6063      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3914      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5125      0.00000
     16      10.8232      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3914      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5130      0.00000
     16      10.8251      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5662      1.00000
      2      -6.6075      1.00000
      3      -5.2360      1.00000
      4      -3.3914      1.00000
      5      -0.9189      1.00000
      6       1.5787      1.00000
      7       2.5314      1.00005
      8       3.5520     -0.00863
      9       4.8189     -0.00000
     10       5.1614     -0.00000
     11       6.5049     -0.00000
     12       7.6456     -0.00000
     13       8.2048     -0.00000
     14       8.7251      0.00000
     15      10.5129      0.00000
     16      10.8251      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00186
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.3957      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00186
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.4076      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6812      1.00000
      2      -4.7150      1.00000
      3      -3.3425      1.00000
      4      -1.5378      1.00000
      5      -0.6880      1.00000
      6       0.1445      1.00000
      7       1.1285      1.00000
      8       2.0319      1.00000
      9       3.6351     -0.00186
     10       3.7427     -0.00014
     11       5.9457     -0.00000
     12       6.7359     -0.00000
     13       8.2397     -0.00000
     14       9.1904      0.00000
     15       9.7431      0.00000
     16      10.4072      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2183      0.00000
     16      10.5360      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2181      0.00000
     16      10.5345      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3816      1.00000
      2      -3.3653      1.00000
      3      -2.4127      1.00000
      4      -2.4113      1.00000
      5      -1.2782      1.00000
      6      -0.8900      1.00000
      7       0.6204      1.00000
      8       1.3650      1.00000
      9       3.3966     -0.03535
     10       3.5432     -0.00988
     11       5.6740     -0.00000
     12       6.0234     -0.00000
     13       8.4351     -0.00000
     14       8.8783      0.00000
     15      10.2181      0.00000
     16      10.5343      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9016      0.00000
     15      12.0464      0.00000
     16      12.6391      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9017      0.00000
     15      12.0466      0.00000
     16      12.6316      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2792      1.00000
      2      -9.3317      1.00000
      3      -7.9735      1.00000
      4      -6.1398      1.00000
      5      -3.6696      1.00000
      6      -0.9535      1.00000
      7       2.2920      1.00000
      8       5.1677     -0.00000
      9       5.9239     -0.00000
     10       8.4171     -0.00000
     11       8.4621     -0.00000
     12      11.4098      0.00000
     13      11.4274      0.00000
     14      11.9016      0.00000
     15      12.0484      0.00000
     16      12.7026      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4453      1.00000
      2      -8.4948      1.00000
      3      -7.1322      1.00000
      4      -5.2929      1.00000
      5      -2.8105      1.00000
      6      -0.1193      1.00000
      7       3.0942      0.75191
      8       5.8205     -0.00000
      9       6.5919     -0.00000
     10       7.8414     -0.00000
     11       8.6154     -0.00000
     12       8.9971      0.00000
     13       9.4156      0.00000
     14       9.8517      0.00000
     15      10.1718      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0530      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0898      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0642      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0651      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6219      0.00000
     16      10.2560      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1933      1.00000
      2      -7.2374      1.00000
      3      -5.8686      1.00000
      4      -4.0237      1.00000
      5      -1.5368      1.00000
      6       1.0973      1.00000
      7       3.8154     -0.00002
      8       4.6915     -0.00000
      9       5.4347     -0.00000
     10       6.5201     -0.00000
     11       7.0812     -0.00000
     12       7.6882     -0.00000
     13       8.1665     -0.00000
     14       8.8809      0.00000
     15       9.6216      0.00000
     16      10.0861      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5201      1.00000
      2      -5.5569      1.00000
      3      -4.1826      1.00000
      4      -2.3452      1.00000
      5       0.0292      1.00000
      6       0.9861      1.00000
      7       1.9980      1.00000
      8       2.9966      0.99037
      9       3.5352     -0.01116
     10       5.1780     -0.00000
     11       5.9281     -0.00000
     12       7.3368     -0.00000
     13       7.9789     -0.00000
     14       8.6434      0.00000
     15       9.0963      0.00000
     16       9.1455      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7076      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7089      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7090      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7077      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7076      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4226      1.00000
      2      -3.4552      1.00000
      3      -2.0997      1.00000
      4      -1.9120      1.00000
      5      -1.0170      1.00000
      6      -0.3662      1.00000
      7       0.6483      1.00000
      8       2.2842      1.00000
      9       2.6663      1.00143
     10       4.7511     -0.00000
     11       4.9034     -0.00000
     12       7.0261     -0.00000
     13       7.4960     -0.00000
     14       8.0240     -0.00000
     15       8.8715      0.00000
     16       9.7119      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0478      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0412      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4022      1.00000
      2      -7.4473      1.00000
      3      -6.0794      1.00000
      4      -4.2350      1.00000
      5      -1.7463      1.00000
      6       0.9058      1.00000
      7       3.9844     -0.00000
      8       6.0111     -0.00000
      9       6.4841     -0.00000
     10       7.2351     -0.00000
     11       7.3126     -0.00000
     12       7.5206     -0.00000
     13       7.5967     -0.00000
     14       8.3916     -0.00000
     15       8.7513      0.00000
     16      10.0456      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7492      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9394      1.00000
      2      -5.9780      1.00000
      3      -4.6042      1.00000
      4      -2.7600      1.00000
      5      -0.2993      1.00000
      6       2.1633      1.00000
      7       3.1202      0.65039
      8       4.1260     -0.00000
      9       5.0873     -0.00000
     10       5.3698     -0.00000
     11       5.9220     -0.00000
     12       6.5022     -0.00000
     13       7.0109     -0.00000
     14       7.7645     -0.00000
     15       8.4074     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8531      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8260      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8454      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8573      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4115     -0.00000
     15       7.5509     -0.00000
     16       8.8473      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0535      1.00000
      2      -4.0860      1.00000
      3      -2.7143      1.00000
      4      -0.9201      1.00000
      5      -0.0716      1.00000
      6       0.7465      1.00000
      7       1.7185      1.00000
      8       2.6028      1.00032
      9       4.0686     -0.00000
     10       4.2573     -0.00000
     11       4.8548     -0.00000
     12       5.7501     -0.00000
     13       6.6394     -0.00000
     14       7.4114     -0.00000
     15       7.5509     -0.00000
     16       8.8759      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6636      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6634      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7560      1.00000
      2      -2.7394      1.00000
      3      -1.8009      1.00000
      4      -1.7775      1.00000
      5      -0.6641      1.00000
      6      -0.2775      1.00000
      7       1.2204      1.00000
      8       1.9578      1.00000
      9       3.7889     -0.00004
     10       3.9038     -0.00000
     11       4.7190     -0.00000
     12       5.7716     -0.00000
     13       6.3928     -0.00000
     14       6.7657     -0.00000
     15       7.1369     -0.00000
     16       8.6676      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6908      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6891      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2639      1.00000
      2      -4.2969      1.00000
      3      -2.9224      1.00000
      4      -1.1031      1.00000
      5       1.1619      1.00000
      6       2.0852      1.00000
      7       2.2493      1.00000
      8       3.0002      0.98545
      9       3.4717     -0.02424
     10       4.2404     -0.00000
     11       4.4944     -0.00000
     12       4.8641     -0.00000
     13       6.1939     -0.00000
     14       6.8386     -0.00000
     15       7.2760     -0.00000
     16       8.6907      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2402     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2451     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41711
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2431     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2530     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2429     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1668      1.00000
      2      -2.2028      1.00000
      3      -0.8634      1.00000
      4      -0.6654      1.00000
      5       0.2054      1.00000
      6       0.8160      1.00000
      7       1.7418      1.00000
      8       1.8320      1.00000
      9       2.5810      1.00018
     10       3.1765      0.41712
     11       4.1383     -0.00000
     12       4.6668     -0.00000
     13       6.0517     -0.00000
     14       6.1465     -0.00000
     15       6.3691     -0.00000
     16       8.2511     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8867      1.00000
      2      -0.8836      1.00000
      3      -0.8578      1.00000
      4      -0.0102      1.00000
      5       0.0903      1.00000
      6       0.0957      1.00000
      7       1.1048      1.00000
      8       1.1127      1.00000
      9       1.7995      1.00000
     10       2.6614      1.00128
     11       4.0767     -0.00000
     12       4.0823     -0.00000
     13       5.9940     -0.00000
     14       5.9982     -0.00000
     15       6.0864     -0.00000
     16       8.0153     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.966 -61.936   0.000  -0.161   0.000  -0.000  -0.009  -0.000
-61.936  33.080  -0.000   0.077  -0.000   0.000   0.006   0.000
  0.000  -0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.161   0.077  -0.000   1.695   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.009   0.006   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.0192: real time    425.0842
    FORNL :  cpu time      0.4975: real time      0.5035
    FORCOR:  cpu time      1.9605: real time      1.9724
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.246E-05 -.743E-06 0.182E+03   0.407E-13 0.239E-13 -.181E+03   -.305E-05 0.121E-05 -.105E+01
   0.475E-06 -.729E-06 0.927E+02   0.845E-14 0.881E-14 -.926E+02   -.434E-06 0.216E-05 -.964E-01
   0.875E-06 0.175E-05 -.173E+00   -.152E-12 -.867E-13 0.164E+00   -.583E-06 -.137E-05 0.155E-01
   0.247E-05 -.172E-06 -.928E+02   0.137E-12 0.809E-13 0.927E+02   -.303E-05 0.383E-06 0.115E+00
   -.571E-06 0.535E-08 -.182E+03   -.447E-13 -.238E-13 0.181E+03   0.860E-06 -.611E-06 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.594E-05 0.197E-07 0.383E-03   -.971E-14 0.313E-14 0.000E+00   -.623E-05 0.177E-05 -.458E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.022876
      0.00000      0.00000      2.36891         0.000000      0.000001     -0.016147
      1.42873      0.82488      4.67553         0.000000     -0.000000      0.007020
      2.85746      1.64976      6.98534        -0.000000     -0.000000      0.024270
      0.00000      0.00000      9.36230         0.000000     -0.000001      0.007733
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000002     -0.004595


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90390333 eV

  energy  without entropy=      -13.89647480  energy(sigma->0) =      -13.90142716
 
 d Force = 0.8118818E-05[-0.794E-05, 0.242E-04]  d Energy = 0.9277850E-05-0.116E-05
 d Force =-0.2848971E-01[-0.286E-01,-0.284E-01]  d Ewald  =-0.2848970E-01-0.762E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9500: real time      1.9620


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.463E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.8253
 eigenvalue spectrum of G is  0.6213  7.0292


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0765
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9526: real time      1.9651
    EDDIAG:  cpu time    584.7132: real time    589.6525
    CHARGE:  cpu time      0.2649: real time      0.2670
 writing wavefunctions
     LOOP+:  cpu time   8023.4118: real time   8091.6654


--------------------------------------- Iteration     20(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2453: real time      1.2508
    TRIAL :  cpu time    583.6842: real time    588.6753
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2653: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    585.9301: real time    590.9360

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1348994E-03  (-0.6612050E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008744 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.73252960
  -exchange      EXHF   =        33.27439677
  -V(xc)+E(xc)   XCENC  =       -83.54653058
  PAW double counting   =    101004.18024651  -100903.22226744
  entropy T*S    EENTRO =        -0.00733547
  eigenvalues    EBANDS =       -35.16362174
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90376606 eV

  energy without entropy =      -13.89643059  energy(sigma->0) =      -13.90132091
  exchange ACFDT corr.  =        -0.00672871  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7281
    SETDIJ:  cpu time      1.2455: real time      1.2509
    TRIAL :  cpu time    585.6197: real time    590.6349
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    587.8573: real time    592.8866

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4984647E-04  (-0.4783013E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0008738 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.64392003
  -exchange      EXHF   =        33.27429665
  -V(xc)+E(xc)   XCENC  =       -83.54656080
  PAW double counting   =    101003.45135483  -100902.49338276
  entropy T*S    EENTRO =        -0.00732908
  eigenvalues    EBANDS =       -35.25215267
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381591 eV

  energy without entropy =      -13.89648683  energy(sigma->0) =      -13.90137288
  exchange ACFDT corr.  =        -0.00672158  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7267
    SETDIJ:  cpu time      1.2448: real time      1.2503
    TRIAL :  cpu time    581.9421: real time    586.8767
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    584.1788: real time    589.1272

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3774658E-04  (-0.3314196E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0008737 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.63959443
  -exchange      EXHF   =        33.27441712
  -V(xc)+E(xc)   XCENC  =       -83.54650979
  PAW double counting   =    101003.85144183  -100902.89347295
  entropy T*S    EENTRO =        -0.00732758
  eigenvalues    EBANDS =       -35.25669070
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385366 eV

  energy without entropy =      -13.89652607  energy(sigma->0) =      -13.90141113
  exchange ACFDT corr.  =        -0.00671834  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7265
    SETDIJ:  cpu time      1.2305: real time      1.2359
    TRIAL :  cpu time    585.6810: real time    590.6800
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2659: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    587.9023: real time    592.9147

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2467980E-04  (-0.1487727E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0008733 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.70357306
  -exchange      EXHF   =        33.27464722
  -V(xc)+E(xc)   XCENC  =       -83.54641989
  PAW double counting   =    101004.86466997  -100903.90668807
  entropy T*S    EENTRO =        -0.00732760
  eigenvalues    EBANDS =       -35.19307128
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387834 eV

  energy without entropy =      -13.89655074  energy(sigma->0) =      -13.90143580
  exchange ACFDT corr.  =        -0.00671926  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2388: real time      1.2445
    TRIAL :  cpu time    583.3188: real time    588.2787
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    585.5499: real time    590.5238

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1082089E-04  (-0.8141901E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008725 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.73205898
  -exchange      EXHF   =        33.27469379
  -V(xc)+E(xc)   XCENC  =       -83.54639942
  PAW double counting   =    101005.71491856  -100904.75693762
  entropy T*S    EENTRO =        -0.00732731
  eigenvalues    EBANDS =       -35.16466225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388916 eV

  energy without entropy =      -13.89656184  energy(sigma->0) =      -13.90144672
  exchange ACFDT corr.  =        -0.00671910  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     20(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2446: real time      1.2501
    TRIAL :  cpu time    583.8167: real time    588.7653
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    583.8069: real time    588.6856
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time   1169.8590: real time   1179.7001

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6092931E-05  (-0.3789089E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0008716 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.73250011
  -Hartree energ DENC   =      -703.70573053
  -exchange      EXHF   =        33.27439879
  -V(xc)+E(xc)   XCENC  =       -83.54644958
  PAW double counting   =    101006.27936864  -100905.32138948
  entropy T*S    EENTRO =        -0.00732724
  eigenvalues    EBANDS =       -35.19079658
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389525 eV

  energy without entropy =      -13.89656801  energy(sigma->0) =      -13.90145284
  exchange ACFDT corr.  =        -0.00671661  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0320


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8936       2 -69.7652       3 -69.7568       4 -69.7691       5 -69.8979
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1195     alpha+bet : -8.9779

 Fermi energy:         3.1568720763

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9015      1.00000
      2      -9.9602      1.00000
      3      -8.6044      1.00000
      4      -6.7726      1.00000
      5      -4.3160      1.00000
      6      -1.5821      1.00000
      7       1.6587      1.00000
      8       4.6266     -0.00000
      9       5.4018     -0.00000
     10       7.9244     -0.00000
     11       7.9891     -0.00000
     12      11.8880      0.00000
     13      12.1883      0.00000
     14      16.0479      0.00000
     15      16.0613      0.00000
     16      16.0844      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8769      0.00000
     16      14.3125      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8768      0.00000
     16      14.3209      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8768      0.00000
     16      14.3123      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5024      0.00000
     16      12.7627      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5029      0.00000
     16      12.7793      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5035      0.00000
     16      12.8259      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6015      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6050      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6173      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5126      0.00000
     16      10.8235      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5125      0.00000
     16      10.8227      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5125      0.00000
     16      10.8229      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.4639      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.3891      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.3954      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2211      0.00000
     16      10.5354      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4348     -0.00000
     14       8.8786      0.00000
     15      10.2211      0.00000
     16      10.5356      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4349     -0.00000
     14       8.8786      0.00000
     15      10.2211      0.00000
     16      10.5353      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2916      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9011      0.00000
     15      12.0445      0.00000
     16      12.6432      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2915      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9012      0.00000
     15      12.0445      0.00000
     16      12.6376      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2915      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9012      0.00000
     15      12.0446      0.00000
     16      12.6428      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7384      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7384      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0805      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0498      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6212      0.00000
     16      10.2333      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6211      0.00000
     16      10.2200      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0555      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6269      0.00000
     16      10.1020      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7086      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7126      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7091      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7076      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7075      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7091      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0428      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0534      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0447      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7483      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7483      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8372      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8457      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8319      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8748      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8624      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8748      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6822      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6752      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6740      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6901      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6955      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6971      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41690
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2382     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2483     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2410     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41690
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2416     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2403     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.3843     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8833      1.00000
      2      -0.8811      1.00000
      3      -0.8545      1.00000
      4      -0.0101      1.00000
      5       0.0893      1.00000
      6       0.0929      1.00000
      7       1.1059      1.00000
      8       1.1102      1.00000
      9       1.7993      1.00000
     10       2.6635      1.00132
     11       4.0804     -0.00000
     12       4.0833     -0.00000
     13       5.9934     -0.00000
     14       6.0005     -0.00000
     15       6.0866     -0.00000
     16       8.0159     -0.00000
 Fermi energy:         3.1568720763

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9015      1.00000
      2      -9.9602      1.00000
      3      -8.6044      1.00000
      4      -6.7726      1.00000
      5      -4.3160      1.00000
      6      -1.5821      1.00000
      7       1.6587      1.00000
      8       4.6266     -0.00000
      9       5.4018     -0.00000
     10       7.9244     -0.00000
     11       7.9891     -0.00000
     12      11.8880      0.00000
     13      12.1883      0.00000
     14      16.0525      0.00000
     15      16.0696      0.00000
     16      16.1906      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8768      0.00000
     16      14.3116      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8768      0.00000
     16      14.3115      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6931      1.00000
      2      -9.7511      1.00000
      3      -8.3943      1.00000
      4      -6.5609      1.00000
      5      -4.1001      1.00000
      6      -1.3721      1.00000
      7       1.8720      1.00000
      8       4.8096     -0.00000
      9       5.5762     -0.00000
     10       8.0922     -0.00000
     11       8.1541     -0.00000
     12      12.0168      0.00000
     13      12.2821      0.00000
     14      13.1138      0.00000
     15      13.8768      0.00000
     16      14.3120      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5045      0.00000
     16      12.8148      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5024      0.00000
     16      12.7628      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0679      1.00000
      2      -9.1237      1.00000
      3      -7.7638      1.00000
      4      -5.9257      1.00000
      5      -3.4538      1.00000
      6      -0.7435      1.00000
      7       2.4968      1.00002
      8       5.3417     -0.00000
      9       6.0941     -0.00000
     10       8.4756     -0.00000
     11       8.6252      0.00000
     12       9.7207      0.00000
     13      10.2945      0.00000
     14      11.3912      0.00000
     15      12.5032      0.00000
     16      12.7911      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6027      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6145      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0253      1.00000
      2      -8.0771      1.00000
      3      -6.7117      1.00000
      4      -4.8672      1.00000
      5      -2.3828      1.00000
      6       0.2930      1.00000
      7       3.4483     -0.02959
      8       5.6405     -0.00000
      9       6.5363     -0.00000
     10       6.8895     -0.00000
     11       7.0406     -0.00000
     12       8.0775     -0.00000
     13       9.3948      0.00000
     14       9.5742      0.00000
     15       9.8047      0.00000
     16      11.6069      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5124      0.00000
     16      10.8230      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5128      0.00000
     16      10.8250      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5633      1.00000
      2      -6.6087      1.00000
      3      -5.2366      1.00000
      4      -3.3889      1.00000
      5      -0.9182      1.00000
      6       1.5798      1.00000
      7       2.5340      1.00005
      8       3.5509     -0.00900
      9       4.8180     -0.00000
     10       5.1614     -0.00000
     11       6.5074     -0.00000
     12       7.6469     -0.00000
     13       8.2038     -0.00000
     14       8.7258      0.00000
     15      10.5127      0.00000
     16      10.8250      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.3972      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.4074      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6782      1.00000
      2      -4.7162      1.00000
      3      -3.3431      1.00000
      4      -1.5354      1.00000
      5      -0.6848      1.00000
      6       0.1435      1.00000
      7       1.1286      1.00000
      8       2.0315      1.00000
      9       3.6371     -0.00181
     10       3.7440     -0.00014
     11       5.9465     -0.00000
     12       6.7357     -0.00000
     13       8.2405     -0.00000
     14       9.1915      0.00000
     15       9.7421      0.00000
     16      10.4071      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4349     -0.00000
     14       8.8786      0.00000
     15      10.2212      0.00000
     16      10.5367      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4349     -0.00000
     14       8.8786      0.00000
     15      10.2211      0.00000
     16      10.5356      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3787      1.00000
      2      -3.3621      1.00000
      3      -2.4135      1.00000
      4      -2.4130      1.00000
      5      -1.2789      1.00000
      6      -0.8904      1.00000
      7       0.6228      1.00000
      8       1.3674      1.00000
      9       3.3973     -0.03535
     10       3.5439     -0.00994
     11       5.6750     -0.00000
     12       6.0242     -0.00000
     13       8.4349     -0.00000
     14       8.8786      0.00000
     15      10.2211      0.00000
     16      10.5354      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2915      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9011      0.00000
     15      12.0446      0.00000
     16      12.6386      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2915      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9012      0.00000
     15      12.0448      0.00000
     16      12.6322      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2763      1.00000
      2      -9.3329      1.00000
      3      -7.9740      1.00000
      4      -6.1375      1.00000
      5      -3.6690      1.00000
      6      -0.9528      1.00000
      7       2.2915      1.00000
      8       5.1689     -0.00000
      9       5.9229     -0.00000
     10       8.4167     -0.00000
     11       8.4622     -0.00000
     12      11.4132      0.00000
     13      11.4299      0.00000
     14      11.9011      0.00000
     15      12.0463      0.00000
     16      12.7016      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7384      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7385      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7384      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4425      1.00000
      2      -8.4960      1.00000
      3      -7.1327      1.00000
      4      -5.2905      1.00000
      5      -2.8099      1.00000
      6      -0.1185      1.00000
      7       3.0939      0.75358
      8       5.8216     -0.00000
      9       6.5910     -0.00000
     10       7.8438     -0.00000
     11       8.6144     -0.00000
     12       8.9973      0.00000
     13       9.4161      0.00000
     14       9.8511      0.00000
     15      10.1742      0.00000
     16      10.7384      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0524      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0838      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0613      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0621      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6212      0.00000
     16      10.2543      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1904      1.00000
      2      -7.2386      1.00000
      3      -5.8691      1.00000
      4      -4.0213      1.00000
      5      -1.5361      1.00000
      6       1.0981      1.00000
      7       3.8170     -0.00002
      8       4.6922     -0.00000
      9       5.4336     -0.00000
     10       6.5199     -0.00000
     11       7.0825     -0.00000
     12       7.6873     -0.00000
     13       8.1686     -0.00000
     14       8.8834      0.00000
     15       9.6210      0.00000
     16      10.0809      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5172      1.00000
      2      -5.5581      1.00000
      3      -4.1832      1.00000
      4      -2.3427      1.00000
      5       0.0301      1.00000
      6       0.9887      1.00000
      7       1.9973      1.00000
      8       2.9967      0.99123
      9       3.5350     -0.01138
     10       5.1803     -0.00000
     11       5.9281     -0.00000
     12       7.3378     -0.00000
     13       7.9802     -0.00000
     14       8.6450      0.00000
     15       9.0954      0.00000
     16       9.1450      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7075      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7087      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7089      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7077      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7075      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4196      1.00000
      2      -3.4565      1.00000
      3      -2.1003      1.00000
      4      -1.9089      1.00000
      5      -1.0178      1.00000
      6      -0.3649      1.00000
      7       0.6485      1.00000
      8       2.2857      1.00000
      9       2.6679      1.00145
     10       4.7512     -0.00000
     11       4.9050     -0.00000
     12       7.0273     -0.00000
     13       7.4970     -0.00000
     14       8.0247     -0.00000
     15       8.8704      0.00000
     16       9.7112      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0485      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0415      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3994      1.00000
      2      -7.4485      1.00000
      3      -6.0800      1.00000
      4      -4.2325      1.00000
      5      -1.7456      1.00000
      6       0.9066      1.00000
      7       3.9844     -0.00000
      8       6.0129     -0.00000
      9       6.4861     -0.00000
     10       7.2357     -0.00000
     11       7.3141     -0.00000
     12       7.5190     -0.00000
     13       7.5957     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0460      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64765
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7483      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7482      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9365      1.00000
      2      -5.9793      1.00000
      3      -4.6047      1.00000
      4      -2.7576      1.00000
      5      -0.2986      1.00000
      6       2.1643      1.00000
      7       3.1228      0.64766
      8       4.1249     -0.00000
      9       5.0891     -0.00000
     10       5.3694     -0.00000
     11       5.9222     -0.00000
     12       6.5018     -0.00000
     13       7.0121     -0.00000
     14       7.7650     -0.00000
     15       8.4088     -0.00000
     16       8.7483      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8536      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8281      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8460      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8575      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8487      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0505      1.00000
      2      -4.0873      1.00000
      3      -2.7150      1.00000
      4      -0.9177      1.00000
      5      -0.0684      1.00000
      6       0.7455      1.00000
      7       1.7186      1.00000
      8       2.6025      1.00031
      9       4.0697     -0.00000
     10       4.2596     -0.00000
     11       4.8572     -0.00000
     12       5.7495     -0.00000
     13       6.6392     -0.00000
     14       7.4112     -0.00000
     15       7.5509     -0.00000
     16       8.8770      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6655      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7531      1.00000
      2      -2.7362      1.00000
      3      -1.8015      1.00000
      4      -1.7793      1.00000
      5      -0.6648      1.00000
      6      -0.2779      1.00000
      7       1.2227      1.00000
      8       1.9600      1.00000
      9       3.7893     -0.00004
     10       3.9057     -0.00000
     11       4.7205     -0.00000
     12       5.7713     -0.00000
     13       6.3936     -0.00000
     14       6.7659     -0.00000
     15       7.1368     -0.00000
     16       8.6691      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6918      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6902      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2609      1.00000
      2      -4.2981      1.00000
      3      -2.9230      1.00000
      4      -1.1006      1.00000
      5       1.1629      1.00000
      6       2.0880      1.00000
      7       2.2516      1.00000
      8       3.0000      0.98785
      9       3.4702     -0.02494
     10       4.2399     -0.00000
     11       4.4949     -0.00000
     12       4.8639     -0.00000
     13       6.1960     -0.00000
     14       6.8407     -0.00000
     15       7.2761     -0.00000
     16       8.6917      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41690
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2403     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2449     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2431     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2523     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2429     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1638      1.00000
      2      -2.2041      1.00000
      3      -0.8639      1.00000
      4      -0.6625      1.00000
      5       0.2046      1.00000
      6       0.8171      1.00000
      7       1.7446      1.00000
      8       1.8327      1.00000
      9       2.5799      1.00017
     10       3.1775      0.41691
     11       4.1394     -0.00000
     12       4.6670     -0.00000
     13       6.0523     -0.00000
     14       6.1482     -0.00000
     15       6.3707     -0.00000
     16       8.2502     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8833      1.00000
      2      -0.8811      1.00000
      3      -0.8545      1.00000
      4      -0.0101      1.00000
      5       0.0893      1.00000
      6       0.0929      1.00000
      7       1.1059      1.00000
      8       1.1102      1.00000
      9       1.7993      1.00000
     10       2.6635      1.00132
     11       4.0804     -0.00000
     12       4.0833     -0.00000
     13       5.9934     -0.00000
     14       6.0005     -0.00000
     15       6.0866     -0.00000
     16       8.0163     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.987 -61.949  -0.000  -0.155  -0.000   0.000  -0.011   0.000
-61.949  33.087   0.000   0.074   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.067  -0.000   0.000  -0.321   0.000  -0.000
 -0.155   0.074  -0.000   1.698   0.000   0.000  -0.260  -0.000
 -0.000   0.000   0.000   0.000   2.067  -0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000  -0.000   0.050  -0.000   0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000  -0.000  -0.000  -0.321   0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    421.8815: real time    424.9359
    FORNL :  cpu time      0.5002: real time      0.5063
    FORCOR:  cpu time      1.9648: real time      1.9764
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.474E-05 -.127E-04 0.182E+03   0.412E-13 0.253E-13 -.181E+03   0.640E-05 0.130E-04 -.106E+01
   -.193E-05 0.471E-05 0.926E+02   0.556E-14 0.547E-14 -.925E+02   -.913E-06 -.492E-05 -.736E-01
   0.198E-05 0.149E-05 -.212E+00   -.145E-12 -.834E-13 0.200E+00   -.202E-05 -.331E-05 0.241E-01
   -.152E-05 0.272E-05 -.928E+02   0.132E-12 0.783E-13 0.927E+02   0.130E-05 -.288E-05 0.110E+00
   0.171E-06 0.113E-05 -.182E+03   -.435E-13 -.226E-13 0.181E+03   -.138E-06 -.101E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.541E-05 -.211E-05 -.742E-02   -.971E-14 0.313E-14 -.284E-13   0.463E-05 0.838E-06 0.158E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000002      0.000001     -0.030650
      0.00000      0.00000      2.36657        -0.000003      0.000000     -0.007431
      1.42873      0.82488      4.67387        -0.000000     -0.000002      0.010049
      2.85746      1.64976      6.98490         0.000001      0.000001      0.020001
      0.00000      0.00000      9.36159        -0.000000      0.000000      0.008031
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001      0.009775


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90389525 eV

  energy  without entropy=      -13.89656801  energy(sigma->0) =      -13.90145284
 
 d Force =-0.1825219E-05[-0.137E-04, 0.101E-04]  d Energy =-0.8084331E-05 0.626E-05
 d Force = 0.4759425E-01[ 0.475E-01, 0.477E-01]  d Ewald  = 0.4759424E-01 0.448E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9659: real time      1.9776


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.299E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.7716
 eigenvalue spectrum of G is  4.7716


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0558
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9645: real time      1.9771
    EDDIAG:  cpu time    584.3052: real time    589.2298
    CHARGE:  cpu time      0.2654: real time      0.2676
 writing wavefunctions
     LOOP+:  cpu time   5115.1569: real time   5158.2723


--------------------------------------- Iteration     21(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7300
    SETDIJ:  cpu time      1.2292: real time      1.2346
    TRIAL :  cpu time    584.8736: real time    589.9130
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2646: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    587.1052: real time    592.1593

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1548795E-03  (-0.7945657E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0008728 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.54709330
  -exchange      EXHF   =        33.27448409
  -V(xc)+E(xc)   XCENC  =       -83.54643177
  PAW double counting   =    100997.58508913  -100896.62707408
  entropy T*S    EENTRO =        -0.00719543
  eigenvalues    EBANDS =       -35.16568527
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90373428 eV

  energy without entropy =      -13.89653884  energy(sigma->0) =      -13.90133580
  exchange ACFDT corr.  =        -0.00663160  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2368: real time      1.2422
    TRIAL :  cpu time    584.9976: real time    590.0625
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    587.2261: real time    592.3047

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5675116E-04  (-0.5236298E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0008733 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.43990371
  -exchange      EXHF   =        33.27433853
  -V(xc)+E(xc)   XCENC  =       -83.54647769
  PAW double counting   =    100995.47930014  -100894.52129616
  entropy T*S    EENTRO =        -0.00718595
  eigenvalues    EBANDS =       -35.27274144
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379103 eV

  energy without entropy =      -13.89660508  energy(sigma->0) =      -13.90139571
  exchange ACFDT corr.  =        -0.00662129  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7271
    SETDIJ:  cpu time      1.2319: real time      1.2372
    TRIAL :  cpu time    578.8872: real time    583.8950
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2648: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    581.1098: real time    586.1312

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4059957E-04  (-0.3813133E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008739 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.43453700
  -exchange      EXHF   =        33.27445367
  -V(xc)+E(xc)   XCENC  =       -83.54642395
  PAW double counting   =    100994.54932544  -100893.59130765
  entropy T*S    EENTRO =        -0.00718273
  eigenvalues    EBANDS =       -35.27834092
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90383163 eV

  energy without entropy =      -13.89664890  energy(sigma->0) =      -13.90143739
  exchange ACFDT corr.  =        -0.00662005  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7271
    SETDIJ:  cpu time      1.2335: real time      1.2393
    TRIAL :  cpu time    583.5701: real time    588.6216
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2644: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    585.7940: real time    590.8597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2856222E-04  (-0.1860548E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008738 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.51125320
  -exchange      EXHF   =        33.27470549
  -V(xc)+E(xc)   XCENC  =       -83.54632307
  PAW double counting   =    100995.30840315  -100894.35040911
  entropy T*S    EENTRO =        -0.00718126
  eigenvalues    EBANDS =       -35.20198546
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386019 eV

  energy without entropy =      -13.89667893  energy(sigma->0) =      -13.90146644
  exchange ACFDT corr.  =        -0.00661881  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7205: real time      0.7266
    SETDIJ:  cpu time      1.2373: real time      1.2427
    TRIAL :  cpu time    581.8918: real time    586.9165
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2668: real time      0.2690
    --------------------------------------------
      LOOP:  cpu time    584.1213: real time    589.1599

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1401138E-04  (-0.1194432E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008730 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.54516100
  -exchange      EXHF   =        33.27474506
  -V(xc)+E(xc)   XCENC  =       -83.54630075
  PAW double counting   =    100996.21589387  -100895.25788212
  entropy T*S    EENTRO =        -0.00717925
  eigenvalues    EBANDS =       -35.16817274
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387420 eV

  energy without entropy =      -13.89669495  energy(sigma->0) =      -13.90148112
  exchange ACFDT corr.  =        -0.00661319  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     21(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7281
    SETDIJ:  cpu time      1.2294: real time      1.2348
    TRIAL :  cpu time    581.1408: real time    586.1763
    CORREC:  cpu time      0.0040: real time      0.0040
    EDDIAG:  cpu time    586.0189: real time    591.0305
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time   1169.3810: real time   1179.4415

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9401832E-05  (-0.6230384E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008720 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.54880048
  -Hartree energ DENC   =      -703.51349531
  -exchange      EXHF   =        33.27437719
  -V(xc)+E(xc)   XCENC  =       -83.54636168
  PAW double counting   =    100996.94630508  -100895.98829328
  entropy T*S    EENTRO =        -0.00717762
  eigenvalues    EBANDS =       -35.19960188
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388360 eV

  energy without entropy =      -13.89670598  energy(sigma->0) =      -13.90149106
  exchange ACFDT corr.  =        -0.00660846  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0381


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8930       2 -69.7653       3 -69.7586       4 -69.7701       5 -69.8986
 
 
 
 E-fermi :   3.1567     XC(G=0):  -5.1194     alpha+bet : -8.9779

 Fermi energy:         3.1567239319

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9003      1.00000
      2      -9.9634      1.00000
      3      -8.6064      1.00000
      4      -6.7708      1.00000
      5      -4.3170      1.00000
      6      -1.5825      1.00000
      7       1.6561      1.00000
      8       4.6277     -0.00000
      9       5.4024     -0.00000
     10       7.9247     -0.00000
     11       7.9893     -0.00000
     12      11.8883      0.00000
     13      12.1882      0.00000
     14      16.0497      0.00000
     15      16.0614      0.00000
     16      16.0806      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3137      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3207      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3136      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5026      0.00000
     16      12.7635      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5031      0.00000
     16      12.7788      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5036      0.00000
     16      12.8242      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6009      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6044      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6163      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5128      0.00000
     16      10.8238      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5128      0.00000
     16      10.8229      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5128      0.00000
     16      10.8232      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6387     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.4566      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6387     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.3905      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6386     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.3959      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5360      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5361      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5359      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8993      0.00000
     15      12.0411      0.00000
     16      12.6424      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8994      0.00000
     15      12.0411      0.00000
     16      12.6370      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8993      0.00000
     15      12.0412      0.00000
     16      12.6422      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7362      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0750      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0484      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6187      0.00000
     16      10.2271      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6185      0.00000
     16      10.2126      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0534      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6222      0.00000
     16      10.0939      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3374     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3374     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7074      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7112      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7077      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7065      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7064      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7077      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0436      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0538      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0455      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7487      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64179
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7487      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8379      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8460      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8334      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8743      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8636      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8753      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7203     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6811      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7203     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6751      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7203     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6741      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99013
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6902      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99013
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6953      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99013
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6967      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41543
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2374     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41544
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2468     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41546
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2401     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41544
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2406     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41546
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2395     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41544
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.3815     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8821      1.00000
      2      -0.8794      1.00000
      3      -0.8525      1.00000
      4      -0.0115      1.00000
      5       0.0849      1.00000
      6       0.0891      1.00000
      7       1.1036      1.00000
      8       1.1080      1.00000
      9       1.7982      1.00000
     10       2.6654      1.00138
     11       4.0817     -0.00000
     12       4.0857     -0.00000
     13       5.9926     -0.00000
     14       6.0009     -0.00000
     15       6.0845     -0.00000
     16       8.0163     -0.00000
 Fermi energy:         3.1567239319

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9003      1.00000
      2      -9.9634      1.00000
      3      -8.6064      1.00000
      4      -6.7708      1.00000
      5      -4.3170      1.00000
      6      -1.5825      1.00000
      7       1.6561      1.00000
      8       4.6277     -0.00000
      9       5.4024     -0.00000
     10       7.9247     -0.00000
     11       7.9893     -0.00000
     12      11.8883      0.00000
     13      12.1882      0.00000
     14      16.0538      0.00000
     15      16.0678      0.00000
     16      16.1810      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3130      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3129      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7543      1.00000
      3      -8.3963      1.00000
      4      -6.5591      1.00000
      5      -4.1011      1.00000
      6      -1.3726      1.00000
      7       1.8695      1.00000
      8       4.8107     -0.00000
      9       5.5768     -0.00000
     10       8.0926     -0.00000
     11       8.1543     -0.00000
     12      12.0171      0.00000
     13      12.2822      0.00000
     14      13.1147      0.00000
     15      13.8743      0.00000
     16      14.3133      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5045      0.00000
     16      12.8123      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5026      0.00000
     16      12.7635      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1270      1.00000
      3      -7.7657      1.00000
      4      -5.9239      1.00000
      5      -3.4547      1.00000
      6      -0.7439      1.00000
      7       2.4944      1.00001
      8       5.3427     -0.00000
      9       6.0946     -0.00000
     10       8.4760     -0.00000
     11       8.6255      0.00000
     12       9.7219      0.00000
     13      10.2920      0.00000
     14      11.3892      0.00000
     15      12.5033      0.00000
     16      12.7897      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6021      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6135      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0240      1.00000
      2      -8.0803      1.00000
      3      -6.7137      1.00000
      4      -4.8653      1.00000
      5      -2.3837      1.00000
      6       0.2927      1.00000
      7       3.4463     -0.02991
      8       5.6413     -0.00000
      9       6.5375     -0.00000
     10       6.8869     -0.00000
     11       7.0413     -0.00000
     12       8.0757     -0.00000
     13       9.3957      0.00000
     14       9.5752      0.00000
     15       9.8049      0.00000
     16      11.6062      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5126      0.00000
     16      10.8233      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5130      0.00000
     16      10.8252      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5619      1.00000
      2      -6.6120      1.00000
      3      -5.2386      1.00000
      4      -3.3870      1.00000
      5      -0.9190      1.00000
      6       1.5797      1.00000
      7       2.5355      1.00005
      8       3.5479     -0.00941
      9       4.8159     -0.00000
     10       5.1595     -0.00000
     11       6.5094     -0.00000
     12       7.6481     -0.00000
     13       8.2043     -0.00000
     14       8.7250      0.00000
     15      10.5130      0.00000
     16      10.8251      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6387     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.3974      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6387     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.4066      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6767      1.00000
      2      -4.7195      1.00000
      3      -3.3452      1.00000
      4      -1.5336      1.00000
      5      -0.6829      1.00000
      6       0.1406      1.00000
      7       1.1274      1.00000
      8       2.0298      1.00000
      9       3.6387     -0.00175
     10       3.7443     -0.00013
     11       5.9460     -0.00000
     12       6.7340     -0.00000
     13       8.2402     -0.00000
     14       9.1925      0.00000
     15       9.7427      0.00000
     16      10.4062      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5369      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5362      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3772      1.00000
      2      -3.3603      1.00000
      3      -2.4173      1.00000
      4      -2.4156      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6247      1.00000
      8       1.3693      1.00000
      9       3.3969     -0.03535
     10       3.5428     -0.01008
     11       5.6753     -0.00000
     12       6.0239     -0.00000
     13       8.4330     -0.00000
     14       8.8776      0.00000
     15      10.2226      0.00000
     16      10.5360      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8993      0.00000
     15      12.0411      0.00000
     16      12.6382      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8994      0.00000
     15      12.0413      0.00000
     16      12.6319      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3361      1.00000
      3      -7.9760      1.00000
      4      -6.1357      1.00000
      5      -3.6700      1.00000
      6      -0.9532      1.00000
      7       2.2891      1.00000
      8       5.1699     -0.00000
      9       5.9235     -0.00000
     10       8.4170     -0.00000
     11       8.4624     -0.00000
     12      11.4152      0.00000
     13      11.4312      0.00000
     14      11.8993      0.00000
     15      12.0426      0.00000
     16      12.6992      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4992      1.00000
      3      -7.1347      1.00000
      4      -5.2887      1.00000
      5      -2.8108      1.00000
      6      -0.1189      1.00000
      7       3.0916      0.75978
      8       5.8224     -0.00000
      9       6.5916     -0.00000
     10       7.8454     -0.00000
     11       8.6114     -0.00000
     12       8.9979      0.00000
     13       9.4167      0.00000
     14       9.8490      0.00000
     15      10.1751      0.00000
     16      10.7361      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0509      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0777      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0581      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0588      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6187      0.00000
     16      10.2530      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1891      1.00000
      2      -7.2419      1.00000
      3      -5.8711      1.00000
      4      -4.0194      1.00000
      5      -1.5370      1.00000
      6       1.0979      1.00000
      7       3.8171     -0.00002
      8       4.6915     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0836     -0.00000
     12       7.6879     -0.00000
     13       8.1701     -0.00000
     14       8.8850      0.00000
     15       9.6184      0.00000
     16      10.0757      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5157      1.00000
      2      -5.5614      1.00000
      3      -4.1852      1.00000
      4      -2.3408      1.00000
      5       0.0295      1.00000
      6       0.9899      1.00000
      7       1.9950      1.00000
      8       2.9958      0.99221
      9       3.5333     -0.01162
     10       5.1822     -0.00000
     11       5.9267     -0.00000
     12       7.3373     -0.00000
     13       7.9804     -0.00000
     14       8.6462      0.00000
     15       9.0958      0.00000
     16       9.1426      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7064      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7076      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7077      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7066      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7064      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4180      1.00000
      2      -3.4597      1.00000
      3      -2.1023      1.00000
      4      -1.9073      1.00000
      5      -1.0205      1.00000
      6      -0.3644      1.00000
      7       0.6476      1.00000
      8       2.2865      1.00000
      9       2.6682      1.00146
     10       4.7499     -0.00000
     11       4.9056     -0.00000
     12       7.0275     -0.00000
     13       7.4966     -0.00000
     14       8.0242     -0.00000
     15       8.8672      0.00000
     16       9.7098      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0493      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0424      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3980      1.00000
      2      -7.4517      1.00000
      3      -6.0820      1.00000
      4      -4.2307      1.00000
      5      -1.7465      1.00000
      6       0.9064      1.00000
      7       3.9827     -0.00000
      8       6.0137     -0.00000
      9       6.4870     -0.00000
     10       7.2353     -0.00000
     11       7.3144     -0.00000
     12       7.5157     -0.00000
     13       7.5957     -0.00000
     14       8.3889     -0.00000
     15       8.7501      0.00000
     16      10.0469      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7487      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7487      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7486      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9351      1.00000
      2      -5.9825      1.00000
      3      -4.6068      1.00000
      4      -2.7557      1.00000
      5      -0.2993      1.00000
      6       2.1642      1.00000
      7       3.1242      0.64178
      8       4.1221     -0.00000
      9       5.0894     -0.00000
     10       5.3676     -0.00000
     11       5.9209     -0.00000
     12       6.4997     -0.00000
     13       7.0123     -0.00000
     14       7.7645     -0.00000
     15       8.4101     -0.00000
     16       8.7487      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8529      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8289      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8464      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8572      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8499      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0490      1.00000
      2      -4.0905      1.00000
      3      -2.7170      1.00000
      4      -0.9159      1.00000
      5      -0.0665      1.00000
      6       0.7426      1.00000
      7       1.7174      1.00000
      8       2.6008      1.00030
      9       4.0700     -0.00000
     10       4.2610     -0.00000
     11       4.8585     -0.00000
     12       5.7472     -0.00000
     13       6.6380     -0.00000
     14       7.4097     -0.00000
     15       7.5491     -0.00000
     16       8.8768      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7204     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6673      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7203     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6671      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7516      1.00000
      2      -2.7344      1.00000
      3      -1.8039      1.00000
      4      -1.7834      1.00000
      5      -0.6671      1.00000
      6      -0.2795      1.00000
      7       1.2248      1.00000
      8       1.9618      1.00000
      9       3.7883     -0.00004
     10       3.9061     -0.00000
     11       4.7203     -0.00000
     12       5.7695     -0.00000
     13       6.3938     -0.00000
     14       6.7649     -0.00000
     15       7.1353     -0.00000
     16       8.6701      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99013
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6919      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99013
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6903      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2594      1.00000
      2      -4.3014      1.00000
      3      -2.9251      1.00000
      4      -1.0987      1.00000
      5       1.1623      1.00000
      6       2.0894      1.00000
      7       2.2527      1.00000
      8       2.9982      0.99014
      9       3.4668     -0.02571
     10       4.2382     -0.00000
     11       4.4941     -0.00000
     12       4.8626     -0.00000
     13       6.1977     -0.00000
     14       6.8422     -0.00000
     15       7.2747     -0.00000
     16       8.6917      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41544
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2394     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41545
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2437     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41545
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2420     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41545
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2506     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41544
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2419     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1622      1.00000
      2      -2.2073      1.00000
      3      -0.8658      1.00000
      4      -0.6610      1.00000
      5       0.2020      1.00000
      6       0.8175      1.00000
      7       1.7459      1.00000
      8       1.8322      1.00000
      9       2.5770      1.00016
     10       3.1777      0.41545
     11       4.1393     -0.00000
     12       4.6661     -0.00000
     13       6.0523     -0.00000
     14       6.1490     -0.00000
     15       6.3711     -0.00000
     16       8.2483     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8821      1.00000
      2      -0.8794      1.00000
      3      -0.8525      1.00000
      4      -0.0116      1.00000
      5       0.0849      1.00000
      6       0.0891      1.00000
      7       1.1036      1.00000
      8       1.1080      1.00000
      9       1.7982      1.00000
     10       2.6655      1.00138
     11       4.0817     -0.00000
     12       4.0857     -0.00000
     13       5.9926     -0.00000
     14       6.0009     -0.00000
     15       6.0845     -0.00000
     16       8.0168     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.765  -0.000
  0.000   0.000   0.000   0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.987 -61.950  -0.000  -0.148  -0.000   0.000  -0.012   0.000
-61.950  33.088   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.068  -0.000   0.000  -0.321   0.000  -0.000
 -0.148   0.070  -0.000   1.701   0.000   0.000  -0.261  -0.000
 -0.000   0.000   0.000   0.000   2.068  -0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000  -0.000   0.050  -0.000   0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000  -0.000  -0.000  -0.321   0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.4518: real time    422.5669
    FORNL :  cpu time      0.4969: real time      0.5039
    FORCOR:  cpu time      1.9664: real time      1.9780
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.633E-05 -.155E-04 0.182E+03   0.430E-13 0.259E-13 -.181E+03   0.838E-05 0.154E-04 -.108E+01
   -.335E-05 0.534E-05 0.925E+02   0.385E-14 0.361E-14 -.924E+02   -.692E-06 -.519E-05 -.520E-01
   0.234E-05 0.154E-05 -.239E+00   -.152E-12 -.848E-13 0.226E+00   -.246E-05 -.261E-05 0.265E-01
   -.536E-06 0.328E-05 -.927E+02   0.136E-12 0.827E-13 0.927E+02   0.801E-06 -.315E-05 0.100E+00
   0.392E-06 -.129E-06 -.182E+03   -.407E-13 -.243E-13 0.181E+03   -.865E-06 0.530E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.815E-05 -.587E-05 -.107E-01   -.971E-14 0.313E-14 0.000E+00   0.517E-05 0.495E-05 0.210E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000003     -0.000000     -0.038387
      0.00000      0.00000      2.36402        -0.000003      0.000001      0.002952
      1.42873      0.82488      4.67265        -0.000000     -0.000001      0.010400
      2.85746      1.64976      6.98513         0.000001      0.000000      0.013622
      0.00000      0.00000      9.36119        -0.000001      0.000000      0.011413
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003     -0.000001      0.011948


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90388360 eV

  energy  without entropy=      -13.89670598  energy(sigma->0) =      -13.90149106
 
 d Force =-0.6889727E-05[-0.217E-04, 0.796E-05]  d Energy =-0.1164631E-04 0.476E-05
 d Force = 0.1836996E+00[ 0.184E+00, 0.184E+00]  d Ewald  = 0.1836996E+00 0.451E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9612: real time      1.9728


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.209E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.8448
 eigenvalue spectrum of G is  3.8448


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2428: real time      1.3165
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9586: real time      1.9712
    EDDIAG:  cpu time    580.7573: real time    585.7117
    CHARGE:  cpu time      0.2643: real time      0.2664
 writing wavefunctions
     LOOP+:  cpu time   5103.8628: real time   5147.5502


--------------------------------------- Iteration     22(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2281: real time      1.2335
    TRIAL :  cpu time    582.3480: real time    587.3940
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    584.5786: real time    589.6393

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1239682E-04  (-0.9935188E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008758 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.38936168
  -Hartree energ DENC   =      -703.54356118
  -exchange      EXHF   =        33.27432632
  -V(xc)+E(xc)   XCENC  =       -83.54638528
  PAW double counting   =    100996.41535202  -100895.45728555
  entropy T*S    EENTRO =        -0.00714576
  eigenvalues    EBANDS =       -35.00989587
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386181 eV

  energy without entropy =      -13.89671604  energy(sigma->0) =      -13.90147988
  exchange ACFDT corr.  =        -0.00657937  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2274: real time      1.2332
    TRIAL :  cpu time    583.3040: real time    588.3187
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2659: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    585.5235: real time    590.5523

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3235861E-04  (-0.1214021E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008759 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.38936168
  -Hartree energ DENC   =      -703.28435953
  -exchange      EXHF   =        33.27354200
  -V(xc)+E(xc)   XCENC  =       -83.54667210
  PAW double counting   =    100992.69796534  -100891.73990108
  entropy T*S    EENTRO =        -0.00714052
  eigenvalues    EBANDS =       -35.26806896
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389416 eV

  energy without entropy =      -13.89675365  energy(sigma->0) =      -13.90151399
  exchange ACFDT corr.  =        -0.00656345  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    578.0317: real time    583.0670
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2665: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    580.2551: real time    585.3042

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6485207E-06  (-0.2507541E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008759 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.38936168
  -Hartree energ DENC   =      -703.21480415
  -exchange      EXHF   =        33.27325815
  -V(xc)+E(xc)   XCENC  =       -83.54677482
  PAW double counting   =    100991.54006901  -100890.58199236
  entropy T*S    EENTRO =        -0.00714310
  eigenvalues    EBANDS =       -35.33725606
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389481 eV

  energy without entropy =      -13.89675171  energy(sigma->0) =      -13.90151378
  exchange ACFDT corr.  =        -0.00655697  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7274
    SETDIJ:  cpu time      1.2364: real time      1.2418
    TRIAL :  cpu time    585.2038: real time    590.2120
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    587.4299: real time    592.4516

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1361765E-04  (-0.4627090E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008755 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.38936168
  -Hartree energ DENC   =      -703.32859234
  -exchange      EXHF   =        33.27348992
  -V(xc)+E(xc)   XCENC  =       -83.54668925
  PAW double counting   =    100993.30264739  -100892.34456183
  entropy T*S    EENTRO =        -0.00714360
  eigenvalues    EBANDS =       -35.22380515
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390843 eV

  energy without entropy =      -13.89676483  energy(sigma->0) =      -13.90152723
  exchange ACFDT corr.  =        -0.00656585  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     22(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2363: real time      1.2417
    TRIAL :  cpu time    581.7352: real time    586.7631
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    576.7238: real time    581.6441
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time   1160.6867: real time   1170.6486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1240536E-05  (-0.6811344E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008750 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.38936168
  -Hartree energ DENC   =      -703.39026042
  -exchange      EXHF   =        33.27350785
  -V(xc)+E(xc)   XCENC  =       -83.54663652
  PAW double counting   =    100995.12304465  -100894.16495470
  entropy T*S    EENTRO =        -0.00713994
  eigenvalues    EBANDS =       -35.16233244
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390719 eV

  energy without entropy =      -13.89676725  energy(sigma->0) =      -13.90152721
  exchange ACFDT corr.  =        -0.00656143  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9716


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8916       2 -69.7567       3 -69.7486       4 -69.7698       5 -69.9079
 
 
 
 E-fermi :   3.1565     XC(G=0):  -5.1196     alpha+bet : -8.9779

 Fermi energy:         3.1565307465

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8935      1.00000
      2      -9.9623      1.00000
      3      -8.6055      1.00000
      4      -6.7692      1.00000
      5      -4.3162      1.00000
      6      -1.5815      1.00000
      7       1.6556      1.00000
      8       4.6270     -0.00000
      9       5.3991     -0.00000
     10       7.9233     -0.00000
     11       7.9875     -0.00000
     12      11.8871      0.00000
     13      12.1874      0.00000
     14      16.0572      0.00000
     15      16.0677      0.00000
     16      16.0841      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3206      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3266      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3204      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5017      0.00000
     16      12.7647      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5021      0.00000
     16      12.7786      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5026      0.00000
     16      12.8240      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6024      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6059      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6179      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5118      0.00000
     16      10.8231      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5118      0.00000
     16      10.8218      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5118      0.00000
     16      10.8218      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.4566      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.3975      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.4022      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5372      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5373      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5371      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9002      0.00000
     15      12.0414      0.00000
     16      12.6412      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9003      0.00000
     15      12.0414      0.00000
     16      12.6361      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9003      0.00000
     15      12.0414      0.00000
     16      12.6406      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1806      0.00000
     16      10.7375      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7375      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1806      0.00000
     16      10.7374      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0717      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0484      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6201      0.00000
     16      10.2210      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6200      0.00000
     16      10.2058      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0529      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6226      0.00000
     16      10.0887      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7077      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7110      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7079      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7069      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7068      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7080      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5935     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0426      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5935     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0525      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5935     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0445      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7457      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63896
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7457      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8402      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8474      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8356      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8752      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8651      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8764      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6818      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6764      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6755      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6903      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6953      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6967      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41380
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2383     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2472     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2408     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41380
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2413     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41382
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2402     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.3802     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8746      1.00000
      2      -0.8726      1.00000
      3      -0.8457      1.00000
      4      -0.0087      1.00000
      5       0.0861      1.00000
      6       0.0890      1.00000
      7       1.1069      1.00000
      8       1.1087      1.00000
      9       1.7980      1.00000
     10       2.6662      1.00140
     11       4.0813     -0.00000
     12       4.0897     -0.00000
     13       5.9925     -0.00000
     14       6.0015     -0.00000
     15       6.0870     -0.00000
     16       8.0169     -0.00000
 Fermi energy:         3.1565307465

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8935      1.00000
      2      -9.9623      1.00000
      3      -8.6055      1.00000
      4      -6.7692      1.00000
      5      -4.3162      1.00000
      6      -1.5815      1.00000
      7       1.6556      1.00000
      8       4.6270     -0.00000
      9       5.3991     -0.00000
     10       7.9233     -0.00000
     11       7.9875     -0.00000
     12      11.8870      0.00000
     13      12.1874      0.00000
     14      16.0606      0.00000
     15      16.0722      0.00000
     16      16.1778      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3199      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3198      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6851      1.00000
      2      -9.7533      1.00000
      3      -8.3954      1.00000
      4      -6.5574      1.00000
      5      -4.1004      1.00000
      6      -1.3716      1.00000
      7       1.8690      1.00000
      8       4.8099     -0.00000
      9       5.5735     -0.00000
     10       8.0912     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2816      0.00000
     14      13.1212      0.00000
     15      13.8756      0.00000
     16      14.3202      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5034      0.00000
     16      12.8105      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5017      0.00000
     16      12.7645      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0599      1.00000
      2      -9.1259      1.00000
      3      -7.7648      1.00000
      4      -5.9222      1.00000
      5      -3.4540      1.00000
      6      -0.7429      1.00000
      7       2.4940      1.00001
      8       5.3420     -0.00000
      9       6.0914     -0.00000
     10       8.4755     -0.00000
     11       8.6240      0.00000
     12       9.7278      0.00000
     13      10.2931      0.00000
     14      11.3899      0.00000
     15      12.5023      0.00000
     16      12.7886      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6035      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6152      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0172      1.00000
      2      -8.0792      1.00000
      3      -6.7127      1.00000
      4      -4.8636      1.00000
      5      -2.3829      1.00000
      6       0.2938      1.00000
      7       3.4463     -0.03016
      8       5.6448     -0.00000
      9       6.5383     -0.00000
     10       6.8885     -0.00000
     11       7.0390     -0.00000
     12       8.0766     -0.00000
     13       9.3948      0.00000
     14       9.5754      0.00000
     15       9.8047      0.00000
     16      11.6077      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5117      0.00000
     16      10.8220      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5120      0.00000
     16      10.8237      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5551      1.00000
      2      -6.6108      1.00000
      3      -5.2376      1.00000
      4      -3.3852      1.00000
      5      -0.9180      1.00000
      6       1.5818      1.00000
      7       2.5409      1.00005
      8       3.5489     -0.00938
      9       4.8161     -0.00000
     10       5.1606     -0.00000
     11       6.5113     -0.00000
     12       7.6476     -0.00000
     13       8.2011     -0.00000
     14       8.7261      0.00000
     15      10.5119      0.00000
     16      10.8238      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.4035      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.4116      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6698      1.00000
      2      -4.7183      1.00000
      3      -3.3441      1.00000
      4      -1.5317      1.00000
      5      -0.6757      1.00000
      6       0.1418      1.00000
      7       1.1278      1.00000
      8       2.0307      1.00000
      9       3.6400     -0.00173
     10       3.7463     -0.00013
     11       5.9469     -0.00000
     12       6.7341     -0.00000
     13       8.2414     -0.00000
     14       9.1921      0.00000
     15       9.7396      0.00000
     16      10.4112      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5380      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5374      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3702      1.00000
      2      -3.3534      1.00000
      3      -2.4167      1.00000
      4      -2.4136      1.00000
      5      -1.2796      1.00000
      6      -0.8914      1.00000
      7       0.6261      1.00000
      8       1.3712      1.00000
      9       3.3971     -0.03534
     10       3.5447     -0.01016
     11       5.6763     -0.00000
     12       6.0251     -0.00000
     13       8.4331     -0.00000
     14       8.8782      0.00000
     15      10.2296      0.00000
     16      10.5372      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9003      0.00000
     15      12.0414      0.00000
     16      12.6369      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9003      0.00000
     15      12.0416      0.00000
     16      12.6313      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2683      1.00000
      2      -9.3351      1.00000
      3      -7.9750      1.00000
      4      -6.1339      1.00000
      5      -3.6692      1.00000
      6      -0.9521      1.00000
      7       2.2886      1.00000
      8       5.1692     -0.00000
      9       5.9202     -0.00000
     10       8.4157     -0.00000
     11       8.4608     -0.00000
     12      11.4224      0.00000
     13      11.4373      0.00000
     14      11.9002      0.00000
     15      12.0427      0.00000
     16      12.6978      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1806      0.00000
     16      10.7374      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4344      1.00000
      2      -8.4981      1.00000
      3      -7.1338      1.00000
      4      -5.2870      1.00000
      5      -2.8100      1.00000
      6      -0.1178      1.00000
      7       3.0913      0.76464
      8       5.8220     -0.00000
      9       6.5886     -0.00000
     10       7.8505     -0.00000
     11       8.6130     -0.00000
     12       8.9974      0.00000
     13       9.4167      0.00000
     14       9.8496      0.00000
     15      10.1805      0.00000
     16      10.7374      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0507      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0743      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0570      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0577      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6201      0.00000
     16      10.2502      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2408      1.00000
      3      -5.8701      1.00000
      4      -4.0176      1.00000
      5      -1.5361      1.00000
      6       1.0991      1.00000
      7       3.8205     -0.00002
      8       4.6941     -0.00000
      9       5.4316     -0.00000
     10       6.5202     -0.00000
     11       7.0831     -0.00000
     12       7.6848     -0.00000
     13       8.1718     -0.00000
     14       8.8903      0.00000
     15       9.6199      0.00000
     16      10.0725      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5089      1.00000
      2      -5.5602      1.00000
      3      -4.1842      1.00000
      4      -2.3389      1.00000
      5       0.0311      1.00000
      6       0.9961      1.00000
      7       1.9961      1.00000
      8       2.9964      0.99215
      9       3.5348     -0.01160
     10       5.1843     -0.00000
     11       5.9270     -0.00000
     12       7.3392     -0.00000
     13       7.9834     -0.00000
     14       8.6472      0.00000
     15       9.0931      0.00000
     16       9.1441      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7068      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7078      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7078      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7069      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7068      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4111      1.00000
      2      -3.4585      1.00000
      3      -2.1011      1.00000
      4      -1.9004      1.00000
      5      -1.0188      1.00000
      6      -0.3629      1.00000
      7       0.6484      1.00000
      8       2.2872      1.00000
      9       2.6703      1.00146
     10       4.7512     -0.00000
     11       4.9067     -0.00000
     12       7.0297     -0.00000
     13       7.4988     -0.00000
     14       8.0263     -0.00000
     15       8.8685      0.00000
     16       9.7097      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5934     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0484      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5934     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0414      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3912      1.00000
      2      -7.4506      1.00000
      3      -6.0810      1.00000
      4      -4.2288      1.00000
      5      -1.7456      1.00000
      6       0.9076      1.00000
      7       3.9830     -0.00000
      8       6.0176     -0.00000
      9       6.4917     -0.00000
     10       7.2372     -0.00000
     11       7.3176     -0.00000
     12       7.5157     -0.00000
     13       7.5934     -0.00000
     14       8.3894     -0.00000
     15       8.7516      0.00000
     16      10.0458      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5008     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7456      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9283      1.00000
      2      -5.9814      1.00000
      3      -4.6057      1.00000
      4      -2.7538      1.00000
      5      -0.2983      1.00000
      6       2.1665      1.00000
      7       3.1297      0.63895
      8       4.1231     -0.00000
      9       5.0937     -0.00000
     10       5.3689     -0.00000
     11       5.9229     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7658     -0.00000
     15       8.4095     -0.00000
     16       8.7457      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8543      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8315      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8477      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8581      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8512      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0421      1.00000
      2      -4.0893      1.00000
      3      -2.7159      1.00000
      4      -0.9140      1.00000
      5      -0.0593      1.00000
      6       0.7438      1.00000
      7       1.7180      1.00000
      8       2.6018      1.00030
      9       4.0712     -0.00000
     10       4.2644     -0.00000
     11       4.8638     -0.00000
     12       5.7481     -0.00000
     13       6.6377     -0.00000
     14       7.4105     -0.00000
     15       7.5502     -0.00000
     16       8.8778      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6694      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6692      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7446      1.00000
      2      -2.7275      1.00000
      3      -1.8019      1.00000
      4      -1.7828      1.00000
      5      -0.6655      1.00000
      6      -0.2787      1.00000
      7       1.2262      1.00000
      8       1.9636      1.00000
      9       3.7889     -0.00004
     10       3.9101     -0.00000
     11       4.7248     -0.00000
     12       5.7698     -0.00000
     13       6.3941     -0.00000
     14       6.7663     -0.00000
     15       7.1369     -0.00000
     16       8.6718      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6919      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6904      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2525      1.00000
      2      -4.3002      1.00000
      3      -2.9240      1.00000
      4      -1.0967      1.00000
      5       1.1643      1.00000
      6       2.0964      1.00000
      7       2.2584      1.00000
      8       3.0002      0.98963
      9       3.4666     -0.02564
     10       4.2388     -0.00000
     11       4.4962     -0.00000
     12       4.8637     -0.00000
     13       6.1990     -0.00000
     14       6.8443     -0.00000
     15       7.2750     -0.00000
     16       8.6917      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2401     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2443     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41380
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2426     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2507     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41380
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2425     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1553      1.00000
      2      -2.2061      1.00000
      3      -0.8644      1.00000
      4      -0.6543      1.00000
      5       0.2038      1.00000
      6       0.8191      1.00000
      7       1.7521      1.00000
      8       1.8344      1.00000
      9       2.5779      1.00016
     10       3.1786      0.41381
     11       4.1408     -0.00000
     12       4.6666     -0.00000
     13       6.0525     -0.00000
     14       6.1510     -0.00000
     15       6.3729     -0.00000
     16       8.2486     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8746      1.00000
      2      -0.8726      1.00000
      3      -0.8457      1.00000
      4      -0.0087      1.00000
      5       0.0861      1.00000
      6       0.0890      1.00000
      7       1.1069      1.00000
      8       1.1087      1.00000
      9       1.7980      1.00000
     10       2.6662      1.00140
     11       4.0813     -0.00000
     12       4.0897     -0.00000
     13       5.9925     -0.00000
     14       6.0015     -0.00000
     15       6.0870     -0.00000
     16       8.0174     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000   0.000  15.765   0.000
 -0.000   0.000   0.000  -0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.964 -61.937  -0.000  -0.148  -0.000   0.000  -0.012   0.000
-61.937  33.081   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.068  -0.000   0.000  -0.321   0.000   0.000
 -0.148   0.070  -0.000   1.701   0.000   0.000  -0.261  -0.000
 -0.000   0.000   0.000   0.000   2.068  -0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000  -0.000   0.050  -0.000   0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321   0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    419.5617: real time    422.6440
    FORNL :  cpu time      0.4994: real time      0.5054
    FORCOR:  cpu time      1.9650: real time      1.9765
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.123E-05 -.550E-05 0.182E+03   0.401E-13 0.238E-13 -.181E+03   -.159E-05 0.522E-05 -.108E+01
   -.260E-05 -.121E-05 0.925E+02   0.861E-14 0.850E-14 -.924E+02   0.156E-05 0.170E-05 -.560E-01
   0.196E-06 -.363E-06 -.231E+00   -.154E-12 -.832E-13 0.221E+00   -.131E-06 0.758E-06 0.212E-01
   0.101E-05 0.149E-05 -.927E+02   0.139E-12 0.771E-13 0.926E+02   -.115E-05 -.163E-05 0.967E-01
   -.379E-05 -.140E-05 -.182E+03   -.437E-13 -.231E-13 0.181E+03   0.376E-05 0.147E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.438E-05 -.755E-05 0.132E-03   -.971E-14 0.313E-14 0.284E-13   0.245E-05 0.752E-05 0.399E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.034246
      0.00000      0.00000      2.36398        -0.000001      0.000001      0.010440
      1.42873      0.82488      4.67304        -0.000000     -0.000000      0.009668
      2.85746      1.64976      6.98578         0.000000     -0.000000      0.006676
      0.00000      0.00000      9.36172         0.000000      0.000000      0.007463
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000000      0.004334


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90390719 eV

  energy  without entropy=      -13.89676725  energy(sigma->0) =      -13.90152721
 
 d Force = 0.1533063E-04[ 0.117E-04, 0.189E-04]  d Energy = 0.2358560E-04-0.825E-05
 d Force = 0.1594388E+00[ 0.159E+00, 0.159E+00]  d Ewald  = 0.1594388E+00-0.393E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9614: real time      1.9729


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.146E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.6189
 eigenvalue spectrum of G is  4.3108  0.9270


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0757
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0849
    POTLOK:  cpu time      1.9579: real time      1.9697
    EDDIAG:  cpu time    581.2891: real time    586.2643
    CHARGE:  cpu time      0.2645: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   4507.0112: real time   4545.4409


--------------------------------------- Iteration     23(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7307
    SETDIJ:  cpu time      1.2301: real time      1.2354
    TRIAL :  cpu time    587.1060: real time    592.1335
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2627: real time      0.2649
    --------------------------------------------
      LOOP:  cpu time    589.3375: real time    594.3798

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3918617E-03  (-0.2205618E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0008880 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.37820335
  -exchange      EXHF   =        33.27256522
  -V(xc)+E(xc)   XCENC  =       -83.54702306
  PAW double counting   =    100990.13787768  -100889.17978637
  entropy T*S    EENTRO =        -0.00730329
  eigenvalues    EBANDS =       -35.25418212
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90351657 eV

  energy without entropy =      -13.89621328  energy(sigma->0) =      -13.90108214
  exchange ACFDT corr.  =        -0.00663807  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    584.5621: real time    589.5957
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    586.7846: real time    591.8319

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1474516E-03  (-0.1719610E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0008870 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.49745150
  -exchange      EXHF   =        33.27256607
  -V(xc)+E(xc)   XCENC  =       -83.54702931
  PAW double counting   =    100991.98810172  -100891.03003127
  entropy T*S    EENTRO =        -0.00731413
  eigenvalues    EBANDS =       -35.13503996
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90366402 eV

  energy without entropy =      -13.89634989  energy(sigma->0) =      -13.90122598
  exchange ACFDT corr.  =        -0.00664889  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2312: real time      1.2365
    TRIAL :  cpu time    585.0190: real time    589.9729
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    587.2426: real time    592.2102

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1269185E-03  (-0.9800218E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008872 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.49125961
  -exchange      EXHF   =        33.27227145
  -V(xc)+E(xc)   XCENC  =       -83.54714549
  PAW double counting   =    100992.12272203  -100891.16463920
  entropy T*S    EENTRO =        -0.00731653
  eigenvalues    EBANDS =       -35.14094950
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90379094 eV

  energy without entropy =      -13.89647440  energy(sigma->0) =      -13.90135209
  exchange ACFDT corr.  =        -0.00665409  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2306: real time      1.2359
    TRIAL :  cpu time    578.8540: real time    583.8428
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2636: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    581.0740: real time    586.0764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7416809E-04  (-0.5182554E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008881 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.39336941
  -exchange      EXHF   =        33.27195099
  -V(xc)+E(xc)   XCENC  =       -83.54727635
  PAW double counting   =    100990.81091016  -100889.85283263
  entropy T*S    EENTRO =        -0.00731633
  eigenvalues    EBANDS =       -35.23845485
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386511 eV

  energy without entropy =      -13.89654877  energy(sigma->0) =      -13.90142633
  exchange ACFDT corr.  =        -0.00665301  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    582.2276: real time    587.2095
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    584.4518: real time    589.4474

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3593888E-04  (-0.2994177E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008887 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.35842916
  -exchange      EXHF   =        33.27197006
  -V(xc)+E(xc)   XCENC  =       -83.54728473
  PAW double counting   =    100990.16176801  -100889.20370923
  entropy T*S    EENTRO =        -0.00731676
  eigenvalues    EBANDS =       -35.27342318
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390105 eV

  energy without entropy =      -13.89658429  energy(sigma->0) =      -13.90146213
  exchange ACFDT corr.  =        -0.00665368  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7273
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    580.1788: real time    585.1876
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    582.4010: real time    587.4235

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2199048E-04  (-0.1330302E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008887 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.40487591
  -exchange      EXHF   =        33.27226216
  -V(xc)+E(xc)   XCENC  =       -83.54718768
  PAW double counting   =    100991.06586526  -100890.10780194
  entropy T*S    EENTRO =        -0.00731683
  eigenvalues    EBANDS =       -35.22739167
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90392304 eV

  energy without entropy =      -13.89660620  energy(sigma->0) =      -13.90148409
  exchange ACFDT corr.  =        -0.00665778  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     23(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7205: real time      0.7269
    SETDIJ:  cpu time      1.2307: real time      1.2362
    TRIAL :  cpu time    580.9857: real time    585.9990
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    578.0288: real time    582.9203
    CHARGE:  cpu time      0.2639: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time   1161.2350: real time   1171.1538

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9862546E-05  (-0.8269732E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008884 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.47113927
  -Hartree energ DENC   =      -703.44664506
  -exchange      EXHF   =        33.27256077
  -V(xc)+E(xc)   XCENC  =       -83.54710225
  PAW double counting   =    100992.48120738  -100891.52314987
  entropy T*S    EENTRO =        -0.00731625
  eigenvalues    EBANDS =       -35.18595537
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90393290 eV

  energy without entropy =      -13.89661664  energy(sigma->0) =      -13.90149415
  exchange ACFDT corr.  =        -0.00666135  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9630


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8924       2 -69.7628       3 -69.7556       4 -69.7709       5 -69.9023
 
 
 
 E-fermi :   3.1563     XC(G=0):  -5.1199     alpha+bet : -8.9779

 Fermi energy:         3.1562778766

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9000      1.00000
      2      -9.9596      1.00000
      3      -8.6043      1.00000
      4      -6.7732      1.00000
      5      -4.3172      1.00000
      6      -1.5828      1.00000
      7       1.6564      1.00000
      8       4.6249     -0.00000
      9       5.4012     -0.00000
     10       7.9243     -0.00000
     11       7.9876     -0.00000
     12      11.8871      0.00000
     13      12.1878      0.00000
     14      16.0491      0.00000
     15      16.0598      0.00000
     16      16.0753      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3136      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3185      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3135      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5015      0.00000
     16      12.7620      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5019      0.00000
     16      12.7755      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5024      0.00000
     16      12.8193      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6008      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6040      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6149      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5121      0.00000
     16      10.8223      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5121      0.00000
     16      10.8213      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5120      0.00000
     16      10.8214      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.4434      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.3906      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.3948      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2228      0.00000
     16      10.5351      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2227      0.00000
     16      10.5352      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2227      0.00000
     16      10.5350      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0451      0.00000
     16      12.6394      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0451      0.00000
     16      12.6344      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0451      0.00000
     16      12.6389      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0663      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0475      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6216      0.00000
     16      10.2128      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.1964      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0517      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6229      0.00000
     16      10.0809      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7076      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7106      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7079      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7070      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7069      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7079      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0412      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0521      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0443      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8363      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8444      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8310      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8736      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8609      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8737      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6767      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6719      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6887      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6934      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6946      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41443
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2377     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41442
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2454     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41441
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2399     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41441
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2404     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41441
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2394     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41442
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.3738     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8811      1.00000
      2      -0.8797      1.00000
      3      -0.8528      1.00000
      4      -0.0091      1.00000
      5       0.0909      1.00000
      6       0.0930      1.00000
      7       1.1077      1.00000
      8       1.1096      1.00000
      9       1.7992      1.00000
     10       2.6631      1.00133
     11       4.0789     -0.00000
     12       4.0839     -0.00000
     13       5.9929     -0.00000
     14       5.9989     -0.00000
     15       6.0860     -0.00000
     16       8.0155     -0.00000
 Fermi energy:         3.1562778766

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9000      1.00000
      2      -9.9596      1.00000
      3      -8.6043      1.00000
      4      -6.7732      1.00000
      5      -4.3172      1.00000
      6      -1.5828      1.00000
      7       1.6564      1.00000
      8       4.6249     -0.00000
      9       5.4012     -0.00000
     10       7.9243     -0.00000
     11       7.9876     -0.00000
     12      11.8871      0.00000
     13      12.1878      0.00000
     14      16.0531      0.00000
     15      16.0638      0.00000
     16      16.1611      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3131      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3131      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6916      1.00000
      2      -9.7505      1.00000
      3      -8.3942      1.00000
      4      -6.5615      1.00000
      5      -4.1014      1.00000
      6      -1.3728      1.00000
      7       1.8698      1.00000
      8       4.8080     -0.00000
      9       5.5755     -0.00000
     10       8.0922     -0.00000
     11       8.1526     -0.00000
     12      12.0160      0.00000
     13      12.2815      0.00000
     14      13.1152      0.00000
     15      13.8774      0.00000
     16      14.3134      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5031      0.00000
     16      12.8065      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5015      0.00000
     16      12.7621      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0664      1.00000
      2      -9.1231      1.00000
      3      -7.7637      1.00000
      4      -5.9263      1.00000
      5      -3.4550      1.00000
      6      -0.7442      1.00000
      7       2.4946      1.00001
      8       5.3401     -0.00000
      9       6.0934     -0.00000
     10       8.4753     -0.00000
     11       8.6244      0.00000
     12       9.7219      0.00000
     13      10.2952      0.00000
     14      11.3912      0.00000
     15      12.5021      0.00000
     16      12.7854      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6019      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6124      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0237      1.00000
      2      -8.0764      1.00000
      3      -6.7116      1.00000
      4      -4.8677      1.00000
      5      -2.3840      1.00000
      6       0.2924      1.00000
      7       3.4465     -0.03000
      8       5.6411     -0.00000
      9       6.5358     -0.00000
     10       6.8901     -0.00000
     11       7.0401     -0.00000
     12       8.0776     -0.00000
     13       9.3942      0.00000
     14       9.5738      0.00000
     15       9.8039      0.00000
     16      11.6057      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5119      0.00000
     16      10.8215      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5122      0.00000
     16      10.8234      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5617      1.00000
      2      -6.6080      1.00000
      3      -5.2364      1.00000
      4      -3.3894      1.00000
      5      -0.9192      1.00000
      6       1.5797      1.00000
      7       2.5353      1.00005
      8       3.5516     -0.00876
      9       4.8181     -0.00000
     10       5.1601     -0.00000
     11       6.5070     -0.00000
     12       7.6455     -0.00000
     13       8.2032     -0.00000
     14       8.7249      0.00000
     15      10.5122      0.00000
     16      10.8233      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.3961      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.4034      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7155      1.00000
      3      -3.3429      1.00000
      4      -1.5358      1.00000
      5      -0.6830      1.00000
      6       0.1441      1.00000
      7       1.1281      1.00000
      8       2.0315      1.00000
      9       3.6367     -0.00181
     10       3.7437     -0.00014
     11       5.9456     -0.00000
     12       6.7343     -0.00000
     13       8.2400     -0.00000
     14       9.1903      0.00000
     15       9.7415      0.00000
     16      10.4031      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2227      0.00000
     16      10.5357      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2228      0.00000
     16      10.5352      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3769      1.00000
      2      -3.3604      1.00000
      3      -2.4125      1.00000
      4      -2.4122      1.00000
      5      -1.2784      1.00000
      6      -0.8903      1.00000
      7       0.6223      1.00000
      8       1.3670      1.00000
      9       3.3963     -0.03533
     10       3.5431     -0.01006
     11       5.6747     -0.00000
     12       6.0237     -0.00000
     13       8.4336     -0.00000
     14       8.8776      0.00000
     15      10.2228      0.00000
     16      10.5351      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0451      0.00000
     16      12.6353      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0453      0.00000
     16      12.6300      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2748      1.00000
      2      -9.3323      1.00000
      3      -7.9739      1.00000
      4      -6.1381      1.00000
      5      -3.6702      1.00000
      6      -0.9534      1.00000
      7       2.2893      1.00000
      8       5.1673     -0.00000
      9       5.9222     -0.00000
     10       8.4166     -0.00000
     11       8.4608     -0.00000
     12      11.4147      0.00000
     13      11.4314      0.00000
     14      11.9015      0.00000
     15      12.0462      0.00000
     16      12.6962      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1192      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1192      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1192      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1191      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1192      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4409      1.00000
      2      -8.4953      1.00000
      3      -7.1326      1.00000
      4      -5.2911      1.00000
      5      -2.8111      1.00000
      6      -0.1192      1.00000
      7       3.0918      0.76152
      8       5.8202     -0.00000
      9       6.5904     -0.00000
     10       7.8450     -0.00000
     11       8.6151     -0.00000
     12       8.9970      0.00000
     13       9.4157      0.00000
     14       9.8511      0.00000
     15      10.1752      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0497      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0689      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0548      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0557      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6216      0.00000
     16      10.2483      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1888      1.00000
      2      -7.2380      1.00000
      3      -5.8690      1.00000
      4      -4.0218      1.00000
      5      -1.5372      1.00000
      6       1.0977      1.00000
      7       3.8170     -0.00002
      8       4.6924     -0.00000
      9       5.4340     -0.00000
     10       6.5203     -0.00000
     11       7.0812     -0.00000
     12       7.6867     -0.00000
     13       8.1683     -0.00000
     14       8.8847      0.00000
     15       9.6215      0.00000
     16      10.0671      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5574      1.00000
      3      -4.1830      1.00000
      4      -2.3432      1.00000
      5       0.0294      1.00000
      6       0.9903      1.00000
      7       1.9979      1.00000
      8       2.9965      0.99070
      9       3.5352     -0.01124
     10       5.1801     -0.00000
     11       5.9268     -0.00000
     12       7.3373     -0.00000
     13       7.9806     -0.00000
     14       8.6443      0.00000
     15       9.0949      0.00000
     16       9.1453      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7069      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7077      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7078      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7070      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7069      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4179      1.00000
      2      -3.4557      1.00000
      3      -2.0999      1.00000
      4      -1.9072      1.00000
      5      -1.0170      1.00000
      6      -0.3650      1.00000
      7       0.6484      1.00000
      8       2.2850      1.00000
      9       2.6672      1.00143
     10       4.7509     -0.00000
     11       4.9042     -0.00000
     12       7.0273     -0.00000
     13       7.4968     -0.00000
     14       8.0248     -0.00000
     15       8.8708      0.00000
     16       9.7095      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0469      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0406      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3978      1.00000
      2      -7.4478      1.00000
      3      -6.0798      1.00000
      4      -4.2331      1.00000
      5      -1.7468      1.00000
      6       0.9061      1.00000
      7       3.9829     -0.00000
      8       6.0135     -0.00000
      9       6.4874     -0.00000
     10       7.2362     -0.00000
     11       7.3142     -0.00000
     12       7.5195     -0.00000
     13       7.5952     -0.00000
     14       8.3911     -0.00000
     15       8.7515      0.00000
     16      10.0444      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9785      1.00000
      3      -4.6045      1.00000
      4      -2.7580      1.00000
      5      -0.2995      1.00000
      6       2.1643      1.00000
      7       3.1240      0.64355
      8       4.1256     -0.00000
      9       5.0896     -0.00000
     10       5.3697     -0.00000
     11       5.9224     -0.00000
     12       6.5018     -0.00000
     13       7.0120     -0.00000
     14       7.7648     -0.00000
     15       8.4074     -0.00000
     16       8.7476      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8523      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8277      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8447      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8560      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8473      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0488      1.00000
      2      -4.0865      1.00000
      3      -2.7147      1.00000
      4      -0.9180      1.00000
      5      -0.0666      1.00000
      6       0.7461      1.00000
      7       1.7182      1.00000
      8       2.6025      1.00031
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8584     -0.00000
     12       5.7499     -0.00000
     13       6.6387     -0.00000
     14       7.4111     -0.00000
     15       7.5497     -0.00000
     16       8.8759      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6654      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7513      1.00000
      2      -2.7345      1.00000
      3      -1.8006      1.00000
      4      -1.7785      1.00000
      5      -0.6643      1.00000
      6      -0.2777      1.00000
      7       1.2224      1.00000
      8       1.9597      1.00000
      9       3.7887     -0.00004
     10       3.9056     -0.00000
     11       4.7214     -0.00000
     12       5.7713     -0.00000
     13       6.3931     -0.00000
     14       6.7657     -0.00000
     15       7.1370     -0.00000
     16       8.6676      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6901      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6888      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2593      1.00000
      2      -4.2973      1.00000
      3      -2.9228      1.00000
      4      -1.1010      1.00000
      5       1.1624      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       3.0008      0.98573
      9       3.4706     -0.02449
     10       4.2400     -0.00000
     11       4.4949     -0.00000
     12       4.8641     -0.00000
     13       6.1956     -0.00000
     14       6.8404     -0.00000
     15       7.2746     -0.00000
     16       8.6900      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41442
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2393     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41442
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2429     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41440
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2416     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41440
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2484     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41442
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2415     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1621      1.00000
      2      -2.2032      1.00000
      3      -0.8635      1.00000
      4      -0.6608      1.00000
      5       0.2055      1.00000
      6       0.8172      1.00000
      7       1.7461      1.00000
      8       1.8330      1.00000
      9       2.5805      1.00018
     10       3.1773      0.41441
     11       4.1388     -0.00000
     12       4.6667     -0.00000
     13       6.0518     -0.00000
     14       6.1478     -0.00000
     15       6.3699     -0.00000
     16       8.2466     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8811      1.00000
      2      -0.8797      1.00000
      3      -0.8528      1.00000
      4      -0.0091      1.00000
      5       0.0909      1.00000
      6       0.0930      1.00000
      7       1.1077      1.00000
      8       1.1096      1.00000
      9       1.7992      1.00000
     10       2.6631      1.00133
     11       4.0789     -0.00000
     12       4.0839     -0.00000
     13       5.9929     -0.00000
     14       5.9989     -0.00000
     15       6.0860     -0.00000
     16       8.0159     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765   0.000
  0.000   0.000   0.000  -0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.938 -61.921   0.000  -0.159   0.000  -0.000  -0.010  -0.000
-61.921  33.071  -0.000   0.076  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067   0.000  -0.000  -0.321  -0.000   0.000
 -0.159   0.076   0.000   1.697   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000   0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.1969: real time    426.2853
    FORNL :  cpu time      0.4976: real time      0.5039
    FORCOR:  cpu time      1.9501: real time      1.9620
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.573E-06 0.382E-05 0.182E+03   0.409E-13 0.277E-13 -.181E+03   -.845E-06 -.303E-05 -.106E+01
   0.286E-05 -.100E-05 0.926E+02   0.564E-14 0.322E-14 -.925E+02   -.395E-05 0.117E-06 -.937E-01
   -.359E-05 0.765E-05 -.163E+00   -.143E-12 -.868E-13 0.160E+00   0.385E-05 -.691E-05 0.940E-02
   0.993E-06 0.215E-05 -.928E+02   0.131E-12 0.820E-13 0.927E+02   -.184E-05 -.371E-05 0.108E+00
   -.692E-05 -.476E-05 -.182E+03   -.448E-13 -.230E-13 0.181E+03   0.712E-05 0.514E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.574E-05 0.861E-05 0.127E-01   -.971E-14 0.313E-14 0.284E-13   0.434E-05 -.839E-05 -.186E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.021166
      0.00000      0.00000      2.36820        -0.000000     -0.000001     -0.009075
      1.42873      0.82488      4.67595        -0.000000      0.000000      0.006693
      2.85746      1.64976      6.98669        -0.000000     -0.000001      0.019730
      0.00000      0.00000      9.36295         0.000001      0.000001      0.003817
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000000     -0.007898


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90393290 eV

  energy  without entropy=      -13.89661664  energy(sigma->0) =      -13.90149415
 
 d Force = 0.4557819E-04[ 0.383E-05, 0.873E-04]  d Energy = 0.2570897E-04 0.199E-04
 d Force =-0.8177761E-01[-0.821E-01,-0.815E-01]  d Ewald  =-0.8177759E-01-0.269E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9545: real time      1.9661


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.256E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.0190
 eigenvalue spectrum of G is  3.0190


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0064: real time      0.0794
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0842: real time      0.0846
    POTLOK:  cpu time      1.9535: real time      1.9656
    EDDIAG:  cpu time    579.2432: real time    584.1586
    CHARGE:  cpu time      0.2655: real time      0.2677
 writing wavefunctions
     LOOP+:  cpu time   5682.6208: real time   5730.9741


--------------------------------------- Iteration     24(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2375: real time      1.2429
    TRIAL :  cpu time    580.6224: real time    585.6372
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2685
    --------------------------------------------
      LOOP:  cpu time    582.8619: real time    587.8914

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2901839E-03  (-0.6747287E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0008873 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.00595630
  -exchange      EXHF   =        33.27168699
  -V(xc)+E(xc)   XCENC  =       -83.54739952
  PAW double counting   =    100983.29662823  -100882.33852706
  entropy T*S    EENTRO =        -0.00720078
  eigenvalues    EBANDS =       -35.48553462
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90363285 eV

  energy without entropy =      -13.89643207  energy(sigma->0) =      -13.90123259
  exchange ACFDT corr.  =        -0.00657983  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7272
    SETDIJ:  cpu time      1.2378: real time      1.2436
    TRIAL :  cpu time    580.8957: real time    585.8904
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    583.1246: real time    588.1336

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3988415E-04  (-0.4818793E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008877 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.29186904
  -exchange      EXHF   =        33.27269797
  -V(xc)+E(xc)   XCENC  =       -83.54702006
  PAW double counting   =    100987.26087663  -100886.30278098
  entropy T*S    EENTRO =        -0.00719585
  eigenvalues    EBANDS =       -35.20104170
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367274 eV

  energy without entropy =      -13.89647689  energy(sigma->0) =      -13.90127412
  exchange ACFDT corr.  =        -0.00660002  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2361: real time      1.2415
    TRIAL :  cpu time    580.1110: real time    585.0820
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2638: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    582.3367: real time    587.3213

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2035600E-03  (-0.4510756E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008878 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.39695903
  -exchange      EXHF   =        33.27321490
  -V(xc)+E(xc)   XCENC  =       -83.54681646
  PAW double counting   =    100989.05830735  -100888.10022620
  entropy T*S    EENTRO =        -0.00718603
  eigenvalues    EBANDS =       -35.09686625
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90387630 eV

  energy without entropy =      -13.89669027  energy(sigma->0) =      -13.90148095
  exchange ACFDT corr.  =        -0.00659419  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2451: real time      1.2506
    TRIAL :  cpu time    588.6328: real time    593.6419
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2667: real time      0.2689
    --------------------------------------------
      LOOP:  cpu time    590.8706: real time    595.8936

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2371140E-04  (-0.1045992E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008868 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.30157034
  -exchange      EXHF   =        33.27305091
  -V(xc)+E(xc)   XCENC  =       -83.54686554
  PAW double counting   =    100988.43470433  -100887.47663559
  entropy T*S    EENTRO =        -0.00718144
  eigenvalues    EBANDS =       -35.19206299
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390001 eV

  energy without entropy =      -13.89671857  energy(sigma->0) =      -13.90150619
  exchange ACFDT corr.  =        -0.00658570  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7269
    SETDIJ:  cpu time      1.2445: real time      1.2501
    TRIAL :  cpu time    580.4327: real time    585.4431
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2652: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    582.6681: real time    587.6923

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7540672E-05  (-0.6414176E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008851 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.23759265
  -exchange      EXHF   =        33.27285220
  -V(xc)+E(xc)   XCENC  =       -83.54692720
  PAW double counting   =    100989.14382002  -100888.18572821
  entropy T*S    EENTRO =        -0.00718290
  eigenvalues    EBANDS =       -35.25581550
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390755 eV

  energy without entropy =      -13.89672465  energy(sigma->0) =      -13.90151325
  exchange ACFDT corr.  =        -0.00657999  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2455: real time      1.2510
    TRIAL :  cpu time    581.7238: real time    586.7478
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2648: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    583.9605: real time    588.9981

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2977235E-04  (-0.2556226E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008829 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.27442968
  -exchange      EXHF   =        33.27286596
  -V(xc)+E(xc)   XCENC  =       -83.54691251
  PAW double counting   =    100991.95428132  -100890.99617641
  entropy T*S    EENTRO =        -0.00718492
  eigenvalues    EBANDS =       -35.21904834
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90393732 eV

  energy without entropy =      -13.89675240  energy(sigma->0) =      -13.90154235
  exchange ACFDT corr.  =        -0.00658009  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7207: real time      0.7273
    SETDIJ:  cpu time      1.2447: real time      1.2502
    TRIAL :  cpu time    587.6365: real time    592.6863
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    589.8720: real time    594.9362

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1288543E-05  (-0.1630450E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008808 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.30966396
  -exchange      EXHF   =        33.27286901
  -V(xc)+E(xc)   XCENC  =       -83.54690387
  PAW double counting   =    100995.05745014  -100894.09931466
  entropy T*S    EENTRO =        -0.00718434
  eigenvalues    EBANDS =       -35.18385301
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90393603 eV

  energy without entropy =      -13.89675169  energy(sigma->0) =      -13.90154125
  exchange ACFDT corr.  =        -0.00658051  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     24(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2436: real time      1.2495
    TRIAL :  cpu time    582.6978: real time    587.6999
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    577.9885: real time    582.9679
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time   1162.9218: real time   1172.9175

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2329354E-05  (-0.8066103E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008792 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.33128099
  -Hartree energ DENC   =      -703.29159561
  -exchange      EXHF   =        33.27266912
  -V(xc)+E(xc)   XCENC  =       -83.54693872
  PAW double counting   =    100997.32460335  -100896.36645370
  entropy T*S    EENTRO =        -0.00718245
  eigenvalues    EBANDS =       -35.20179627
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90393836 eV

  energy without entropy =      -13.89675591  energy(sigma->0) =      -13.90154421
  exchange ACFDT corr.  =        -0.00657806  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0177


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9072       2 -69.7762       3 -69.7568       4 -69.7616       5 -69.8874
 
 
 
 E-fermi :   3.1565     XC(G=0):  -5.1197     alpha+bet : -8.9779

 Fermi energy:         3.1564711636

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8999      1.00000
      2      -9.9632      1.00000
      3      -8.6063      1.00000
      4      -6.7719      1.00000
      5      -4.3183      1.00000
      6      -1.5834      1.00000
      7       1.6543      1.00000
      8       4.6262     -0.00000
      9       5.4026     -0.00000
     10       7.9248     -0.00000
     11       7.9885     -0.00000
     12      11.8881      0.00000
     13      12.1877      0.00000
     14      16.0498      0.00000
     15      16.0581      0.00000
     16      16.0724      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3137      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3174      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3137      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5021      0.00000
     16      12.7625      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5024      0.00000
     16      12.7748      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5029      0.00000
     16      12.8166      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6000      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6030      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6134      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5126      0.00000
     16      10.8228      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5126      0.00000
     16      10.8218      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5125      0.00000
     16      10.8220      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.4339      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.3909      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.3942      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2231      0.00000
     16      10.5354      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2231      0.00000
     16      10.5354      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2231      0.00000
     16      10.5353      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4157      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0415      0.00000
     16      12.6386      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4156      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0415      0.00000
     16      12.6336      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4157      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0416      0.00000
     16      12.6397      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7364      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7364      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0617      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0464      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.2003      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.1824      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0499      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6193      0.00000
     16      10.0724      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7065      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7093      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7067      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7060      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7059      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7066      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0423      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0525      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0453      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8358      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8450      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8320      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8726      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8609      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8731      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6756      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6716      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6709      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98825
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6885      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98825
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6929      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98825
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6939      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41404
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2368     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41404
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2433     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2388     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41404
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2391     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2383     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.3674     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8822      1.00000
      2      -0.8779      1.00000
      3      -0.8521      1.00000
      4      -0.0112      1.00000
      5       0.0840      1.00000
      6       0.0908      1.00000
      7       1.1019      1.00000
      8       1.1110      1.00000
      9       1.7981      1.00000
     10       2.6646      1.00138
     11       4.0798     -0.00000
     12       4.0859     -0.00000
     13       5.9929     -0.00000
     14       5.9982     -0.00000
     15       6.0838     -0.00000
     16       8.0158     -0.00000
 Fermi energy:         3.1564711636

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8999      1.00000
      2      -9.9632      1.00000
      3      -8.6063      1.00000
      4      -6.7719      1.00000
      5      -4.3183      1.00000
      6      -1.5834      1.00000
      7       1.6543      1.00000
      8       4.6262     -0.00000
      9       5.4026     -0.00000
     10       7.9248     -0.00000
     11       7.9885     -0.00000
     12      11.8881      0.00000
     13      12.1877      0.00000
     14      16.0536      0.00000
     15      16.0629      0.00000
     16      16.1503      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3134      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3133      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7542      1.00000
      3      -8.3962      1.00000
      4      -6.5601      1.00000
      5      -4.1024      1.00000
      6      -1.3734      1.00000
      7       1.8677      1.00000
      8       4.8092     -0.00000
      9       5.5770     -0.00000
     10       8.0927     -0.00000
     11       8.1535     -0.00000
     12      12.0169      0.00000
     13      12.2817      0.00000
     14      13.1151      0.00000
     15      13.8743      0.00000
     16      14.3136      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5036      0.00000
     16      12.8035      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5022      0.00000
     16      12.7625      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0662      1.00000
      2      -9.1268      1.00000
      3      -7.7656      1.00000
      4      -5.9249      1.00000
      5      -3.4560      1.00000
      6      -0.7447      1.00000
      7       2.4926      1.00001
      8       5.3413     -0.00000
      9       6.0948     -0.00000
     10       8.4759     -0.00000
     11       8.6251      0.00000
     12       9.7221      0.00000
     13      10.2922      0.00000
     14      11.3893      0.00000
     15      12.5026      0.00000
     16      12.7837      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6010      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6110      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0235      1.00000
      2      -8.0801      1.00000
      3      -6.7136      1.00000
      4      -4.8663      1.00000
      5      -2.3850      1.00000
      6       0.2919      1.00000
      7       3.4448     -0.03019
      8       5.6412     -0.00000
      9       6.5369     -0.00000
     10       6.8869     -0.00000
     11       7.0415     -0.00000
     12       8.0758     -0.00000
     13       9.3954      0.00000
     14       9.5747      0.00000
     15       9.8042      0.00000
     16      11.6046      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5124      0.00000
     16      10.8221      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5127      0.00000
     16      10.8238      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6117      1.00000
      3      -5.2384      1.00000
      4      -3.3879      1.00000
      5      -0.9201      1.00000
      6       1.5792      1.00000
      7       2.5358      1.00005
      8       3.5481     -0.00918
      9       4.8159     -0.00000
     10       5.1584     -0.00000
     11       6.5085     -0.00000
     12       7.6468     -0.00000
     13       8.2045     -0.00000
     14       8.7240      0.00000
     15      10.5126      0.00000
     16      10.8235      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.3952      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.4013      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7192      1.00000
      3      -3.3449      1.00000
      4      -1.5345      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1267      1.00000
      8       2.0298      1.00000
      9       3.6379     -0.00175
     10       3.7436     -0.00014
     11       5.9449     -0.00000
     12       6.7327     -0.00000
     13       8.2395     -0.00000
     14       9.1915      0.00000
     15       9.7430      0.00000
     16      10.4010      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2232      0.00000
     16      10.5358      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2231      0.00000
     16      10.5355      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4171      1.00000
      4      -2.4151      1.00000
      5      -1.2807      1.00000
      6      -0.8919      1.00000
      7       0.6239      1.00000
      8       1.3684      1.00000
      9       3.3958     -0.03532
     10       3.5417     -0.01017
     11       5.6747     -0.00000
     12       6.0231     -0.00000
     13       8.4319     -0.00000
     14       8.8767      0.00000
     15      10.2230      0.00000
     16      10.5354      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4157      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0415      0.00000
     16      12.6356      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4156      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0415      0.00000
     16      12.6294      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3360      1.00000
      3      -7.9759      1.00000
      4      -6.1367      1.00000
      5      -3.6713      1.00000
      6      -0.9540      1.00000
      7       2.2873      1.00000
      8       5.1685     -0.00000
      9       5.9237     -0.00000
     10       8.4172     -0.00000
     11       8.4616     -0.00000
     12      11.4157      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0422      0.00000
     16      12.6917      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7364      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4990      1.00000
      3      -7.1346      1.00000
      4      -5.2897      1.00000
      5      -2.8121      1.00000
      6      -0.1197      1.00000
      7       3.0900      0.76516
      8       5.8212     -0.00000
      9       6.5918     -0.00000
     10       7.8458     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4165      0.00000
     14       9.8490      0.00000
     15      10.1753      0.00000
     16      10.7363      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0482      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0626      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0524      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0532      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6186      0.00000
     16      10.2459      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2417      1.00000
      3      -5.8710      1.00000
      4      -4.0204      1.00000
      5      -1.5382      1.00000
      6       1.0972      1.00000
      7       3.8167     -0.00002
      8       4.6913     -0.00000
      9       5.4305     -0.00000
     10       6.5187     -0.00000
     11       7.0824     -0.00000
     12       7.6881     -0.00000
     13       8.1693     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0626      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1425      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1425      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5611      1.00000
      3      -4.1850      1.00000
      4      -2.3417      1.00000
      5       0.0285      1.00000
      6       0.9904      1.00000
      7       1.9951      1.00000
      8       2.9953      0.99184
      9       3.5335     -0.01150
     10       5.1814     -0.00000
     11       5.9255     -0.00000
     12       7.3365     -0.00000
     13       7.9803     -0.00000
     14       8.6454      0.00000
     15       9.0960      0.00000
     16       9.1426      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7059      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7066      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7068      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7060      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7059      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4594      1.00000
      3      -2.1020      1.00000
      4      -1.9068      1.00000
      5      -1.0202      1.00000
      6      -0.3649      1.00000
      7       0.6474      1.00000
      8       2.2856      1.00000
      9       2.6672      1.00145
     10       4.7493     -0.00000
     11       4.9045     -0.00000
     12       7.0270     -0.00000
     13       7.4961     -0.00000
     14       8.0239     -0.00000
     15       8.8672      0.00000
     16       9.7083      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0473      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0417      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4515      1.00000
      3      -6.0818      1.00000
      4      -4.2316      1.00000
      5      -1.7477      1.00000
      6       0.9056      1.00000
      7       3.9814     -0.00000
      8       6.0137     -0.00000
      9       6.4874     -0.00000
     10       7.2354     -0.00000
     11       7.3141     -0.00000
     12       7.5158     -0.00000
     13       7.5959     -0.00000
     14       8.3890     -0.00000
     15       8.7502      0.00000
     16      10.0457      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63885
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9823      1.00000
      3      -4.6066      1.00000
      4      -2.7566      1.00000
      5      -0.3005      1.00000
      6       2.1639      1.00000
      7       3.1245      0.63884
      8       4.1223     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9206     -0.00000
     12       6.4995     -0.00000
     13       7.0119     -0.00000
     14       7.7644     -0.00000
     15       8.4087     -0.00000
     16       8.7488      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8510      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8277      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8454      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8560      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8484      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0902      1.00000
      3      -2.7168      1.00000
      4      -0.9167      1.00000
      5      -0.0659      1.00000
      6       0.7427      1.00000
      7       1.7168      1.00000
      8       2.6008      1.00030
      9       4.0695     -0.00000
     10       4.2604     -0.00000
     11       4.8588     -0.00000
     12       5.7470     -0.00000
     13       6.6373     -0.00000
     14       7.4095     -0.00000
     15       7.5480     -0.00000
     16       8.8750      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6664      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6664      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8036      1.00000
      4      -1.7830      1.00000
      5      -0.6666      1.00000
      6      -0.2793      1.00000
      7       1.2239      1.00000
      8       1.9610      1.00000
      9       3.7874     -0.00004
     10       3.9056     -0.00000
     11       4.7206     -0.00000
     12       5.7691     -0.00000
     13       6.3932     -0.00000
     14       6.7644     -0.00000
     15       7.1354     -0.00000
     16       8.6681      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98825
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6898      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98825
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6886      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3011      1.00000
      3      -2.9248      1.00000
      4      -1.0995      1.00000
      5       1.1615      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9985      0.98826
      9       3.4668     -0.02532
     10       4.2382     -0.00000
     11       4.4939     -0.00000
     12       4.8627     -0.00000
     13       6.1969     -0.00000
     14       6.8415     -0.00000
     15       7.2734     -0.00000
     16       8.6898      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41404
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2383     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2412     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2401     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2464     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2401     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2070      1.00000
      3      -0.8655      1.00000
      4      -0.6605      1.00000
      5       0.2024      1.00000
      6       0.8171      1.00000
      7       1.7464      1.00000
      8       1.8323      1.00000
      9       2.5772      1.00016
     10       3.1773      0.41405
     11       4.1384     -0.00000
     12       4.6657     -0.00000
     13       6.0516     -0.00000
     14       6.1482     -0.00000
     15       6.3700     -0.00000
     16       8.2444     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8822      1.00000
      2      -0.8779      1.00000
      3      -0.8521      1.00000
      4      -0.0112      1.00000
      5       0.0840      1.00000
      6       0.0908      1.00000
      7       1.1019      1.00000
      8       1.1110      1.00000
      9       1.7981      1.00000
     10       2.6646      1.00138
     11       4.0798     -0.00000
     12       4.0859     -0.00000
     13       5.9929     -0.00000
     14       5.9982     -0.00000
     15       6.0838     -0.00000
     16       8.0162     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.971 -61.940  -0.000  -0.152  -0.000   0.000  -0.011   0.000
-61.940  33.083   0.000   0.072   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.067  -0.000   0.000  -0.321   0.000  -0.000
 -0.152   0.072  -0.000   1.700   0.000   0.000  -0.260  -0.000
 -0.000   0.000   0.000   0.000   2.067  -0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000  -0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000  -0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.4835: real time    425.5708
    FORNL :  cpu time      0.4979: real time      0.5040
    FORCOR:  cpu time      1.9672: real time      1.9789
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.271E-05 -.828E-05 0.182E+03   0.429E-13 0.264E-13 -.181E+03   0.338E-05 0.788E-05 -.107E+01
   0.297E-05 0.196E-05 0.925E+02   0.931E-14 0.587E-14 -.924E+02   -.564E-05 -.223E-05 -.703E-01
   0.108E-05 0.424E-06 -.206E+00   -.156E-12 -.864E-13 0.195E+00   -.207E-05 -.148E-05 0.175E-01
   -.725E-06 0.106E-05 -.927E+02   0.136E-12 0.817E-13 0.926E+02   0.143E-05 -.115E-05 0.102E+00
   0.174E-05 0.951E-06 -.182E+03   -.419E-13 -.244E-13 0.181E+03   -.208E-05 -.706E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.248E-05 -.408E-05 -.465E-02   -.971E-14 0.313E-14 -.568E-13   -.496E-05 0.232E-05 0.879E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.034422
      0.00000      0.00000      2.36547        -0.000002      0.000000     -0.001691
      1.42873      0.82488      4.67434        -0.000001     -0.000001      0.007216
      2.85746      1.64976      6.98657         0.000002      0.000001      0.014758
      0.00000      0.00000      9.36239        -0.000000      0.000000      0.014139
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003     -0.000002     -0.003444


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90393836 eV

  energy  without entropy=      -13.89675591  energy(sigma->0) =      -13.90154421
 
 d Force =-0.3618001E-05[-0.167E-04, 0.942E-05]  d Energy = 0.5462964E-05-0.908E-05
 d Force = 0.1398583E+00[ 0.140E+00, 0.140E+00]  d Ewald  = 0.1398583E+00 0.632E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9635: real time      1.9754


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.228E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.9061
 eigenvalue spectrum of G is  2.9061


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0687
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0847
    POTLOK:  cpu time      1.9643: real time      1.9772
    EDDIAG:  cpu time    580.3187: real time    585.2218
    CHARGE:  cpu time      0.2638: real time      0.2660
 writing wavefunctions
     LOOP+:  cpu time   6269.1070: real time   6322.7968


--------------------------------------- Iteration     25(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7238: real time      0.7299
    SETDIJ:  cpu time      1.2404: real time      1.2458
    TRIAL :  cpu time    588.3129: real time    593.2852
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2635: real time      0.2656
    --------------------------------------------
      LOOP:  cpu time    590.5547: real time    595.5416

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3714411E-04  (-0.1253690E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008838 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.33299546
  -exchange      EXHF   =        33.27268696
  -V(xc)+E(xc)   XCENC  =       -83.54692342
  PAW double counting   =    100997.77412138  -100896.81600392
  entropy T*S    EENTRO =        -0.00718021
  eigenvalues    EBANDS =       -35.02332313
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389889 eV

  energy without entropy =      -13.89671867  energy(sigma->0) =      -13.90150548
  exchange ACFDT corr.  =        -0.00657219  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2403: real time      1.2457
    TRIAL :  cpu time    588.2496: real time    593.2643
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    590.4824: real time    595.5108

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2353264E-04  (-0.6251769E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008842 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.11953496
  -exchange      EXHF   =        33.27195195
  -V(xc)+E(xc)   XCENC  =       -83.54719355
  PAW double counting   =    100994.47808598  -100893.51994934
  entropy T*S    EENTRO =        -0.00717850
  eigenvalues    EBANDS =       -35.23582910
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90392242 eV

  energy without entropy =      -13.89674392  energy(sigma->0) =      -13.90152959
  exchange ACFDT corr.  =        -0.00655998  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2405: real time      1.2460
    TRIAL :  cpu time    586.9452: real time    591.9524
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    589.1783: real time    594.1993

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2594333E-04  (-0.2108023E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008845 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.05249837
  -exchange      EXHF   =        33.27159420
  -V(xc)+E(xc)   XCENC  =       -83.54732559
  PAW double counting   =    100992.86394049  -100891.90577886
  entropy T*S    EENTRO =        -0.00718229
  eigenvalues    EBANDS =       -35.30242855
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90394836 eV

  energy without entropy =      -13.89676607  energy(sigma->0) =      -13.90155427
  exchange ACFDT corr.  =        -0.00655536  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2363: real time      1.2418
    TRIAL :  cpu time    583.0111: real time    588.0178
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    585.2396: real time    590.2601

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1227357E-04  (-0.1483480E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008848 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.13475368
  -exchange      EXHF   =        33.27170313
  -V(xc)+E(xc)   XCENC  =       -83.54728818
  PAW double counting   =    100993.92219316  -100892.96405090
  entropy T*S    EENTRO =        -0.00718349
  eigenvalues    EBANDS =       -35.22030870
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90396064 eV

  energy without entropy =      -13.89677715  energy(sigma->0) =      -13.90156614
  exchange ACFDT corr.  =        -0.00655858  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2377: real time      1.2432
    TRIAL :  cpu time    582.7884: real time    587.8114
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2639: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    585.0168: real time    590.0536

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1267035E-05  (-0.1096276E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008847 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.18253948
  -exchange      EXHF   =        33.27180873
  -V(xc)+E(xc)   XCENC  =       -83.54725172
  PAW double counting   =    100994.94518134  -100893.98702569
  entropy T*S    EENTRO =        -0.00718083
  eigenvalues    EBANDS =       -35.17267840
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90396190 eV

  energy without entropy =      -13.89678108  energy(sigma->0) =      -13.90156830
  exchange ACFDT corr.  =        -0.00655992  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     25(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2426: real time      1.2484
    TRIAL :  cpu time    581.2430: real time    586.2640
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    579.1725: real time    584.0738
    CHARGE:  cpu time      0.2626: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time   1162.6469: real time   1172.5839

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5629830E-05  (-0.1202233E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008843 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       405.19434257
  -Hartree energ DENC   =      -703.15023858
  -exchange      EXHF   =        33.27169257
  -V(xc)+E(xc)   XCENC  =       -83.54727542
  PAW double counting   =    100995.49705649  -100894.53889075
  entropy T*S    EENTRO =        -0.00717825
  eigenvalues    EBANDS =       -35.20490935
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90396753 eV

  energy without entropy =      -13.89678929  energy(sigma->0) =      -13.90157479
  exchange ACFDT corr.  =        -0.00655696  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9431


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8974       2 -69.7690       3 -69.7583       4 -69.7697       5 -69.8974
 
 
 
 E-fermi :   3.1565     XC(G=0):  -5.1199     alpha+bet : -8.9779

 Fermi energy:         3.1564951095

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8999      1.00000
      2      -9.9631      1.00000
      3      -8.6065      1.00000
      4      -6.7725      1.00000
      5      -4.3192      1.00000
      6      -1.5840      1.00000
      7       1.6530      1.00000
      8       4.6254     -0.00000
      9       5.4027     -0.00000
     10       7.9251     -0.00000
     11       7.9879     -0.00000
     12      11.8878      0.00000
     13      12.1875      0.00000
     14      16.0495      0.00000
     15      16.0580      0.00000
     16      16.0706      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3166      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3135      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5018      0.00000
     16      12.7620      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5021      0.00000
     16      12.7735      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5025      0.00000
     16      12.8141      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.5993      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.6022      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.6122      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5125      0.00000
     16      10.8223      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5125      0.00000
     16      10.8213      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5125      0.00000
     16      10.8215      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.4283      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.3907      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.3936      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5351      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5351      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5350      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0418      0.00000
     16      12.6373      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0417      0.00000
     16      12.6328      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0418      0.00000
     16      12.6375      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7365      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7365      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.0582      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0455      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.1914      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.1729      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0487      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6190      0.00000
     16      10.0682      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7060      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7083      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7061      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7055      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7055      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7061      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0418      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0523      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0453      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8354      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8437      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8313      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8719      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8604      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8728      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6739      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6705      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6878      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6919      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6930      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2362     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2424     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2381     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2385     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2377     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.3641     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8813      1.00000
      2      -0.8788      1.00000
      3      -0.8520      1.00000
      4      -0.0111      1.00000
      5       0.0859      1.00000
      6       0.0898      1.00000
      7       1.1040      1.00000
      8       1.1085      1.00000
      9       1.7980      1.00000
     10       2.6642      1.00138
     11       4.0815     -0.00000
     12       4.0830     -0.00000
     13       5.9918     -0.00000
     14       5.9980     -0.00000
     15       6.0829     -0.00000
     16       8.0154     -0.00000
 Fermi energy:         3.1564951095

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8999      1.00000
      2      -9.9631      1.00000
      3      -8.6065      1.00000
      4      -6.7725      1.00000
      5      -4.3192      1.00000
      6      -1.5840      1.00000
      7       1.6530      1.00000
      8       4.6254     -0.00000
      9       5.4027     -0.00000
     10       7.9251     -0.00000
     11       7.9879     -0.00000
     12      11.8878      0.00000
     13      12.1875      0.00000
     14      16.0530      0.00000
     15      16.0613      0.00000
     16      16.1416      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3133      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3132      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6915      1.00000
      2      -9.7540      1.00000
      3      -8.3964      1.00000
      4      -6.5607      1.00000
      5      -4.1033      1.00000
      6      -1.3740      1.00000
      7       1.8664      1.00000
      8       4.8084     -0.00000
      9       5.5771     -0.00000
     10       8.0929     -0.00000
     11       8.1529     -0.00000
     12      12.0167      0.00000
     13      12.2815      0.00000
     14      13.1150      0.00000
     15      13.8745      0.00000
     16      14.3134      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5031      0.00000
     16      12.8010      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5018      0.00000
     16      12.7620      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0663      1.00000
      2      -9.1266      1.00000
      3      -7.7658      1.00000
      4      -5.9255      1.00000
      5      -3.4569      1.00000
      6      -0.7453      1.00000
      7       2.4914      1.00001
      8       5.3405     -0.00000
      9       6.0950     -0.00000
     10       8.4759     -0.00000
     11       8.6250      0.00000
     12       9.7220      0.00000
     13      10.2924      0.00000
     14      11.3891      0.00000
     15      12.5022      0.00000
     16      12.7819      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.6003      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.6098      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0236      1.00000
      2      -8.0799      1.00000
      3      -6.7137      1.00000
      4      -4.8669      1.00000
      5      -2.3858      1.00000
      6       0.2914      1.00000
      7       3.4437     -0.03035
      8       5.6410     -0.00000
      9       6.5365     -0.00000
     10       6.8871     -0.00000
     11       7.0415     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5744      0.00000
     15       9.8038      0.00000
     16      11.6037      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5124      0.00000
     16      10.8216      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5126      0.00000
     16      10.8233      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5615      1.00000
      2      -6.6115      1.00000
      3      -5.2386      1.00000
      4      -3.3885      1.00000
      5      -0.9209      1.00000
      6       1.5788      1.00000
      7       2.5357      1.00005
      8       3.5484     -0.00908
      9       4.8158     -0.00000
     10       5.1574     -0.00000
     11       6.5080     -0.00000
     12       7.6461     -0.00000
     13       8.2046     -0.00000
     14       8.7233      0.00000
     15      10.5126      0.00000
     16      10.8231      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.3945      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.3997      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6762      1.00000
      2      -4.7189      1.00000
      3      -3.3451      1.00000
      4      -1.5350      1.00000
      5      -0.6823      1.00000
      6       0.1408      1.00000
      7       1.1263      1.00000
      8       2.0295      1.00000
      9       3.6374     -0.00176
     10       3.7430     -0.00014
     11       5.9442     -0.00000
     12       6.7318     -0.00000
     13       8.2390     -0.00000
     14       9.1909      0.00000
     15       9.7431      0.00000
     16      10.3995      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5354      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5351      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3766      1.00000
      2      -3.3598      1.00000
      3      -2.4166      1.00000
      4      -2.4151      1.00000
      5      -1.2808      1.00000
      6      -0.8921      1.00000
      7       0.6234      1.00000
      8       1.3678      1.00000
      9       3.3952     -0.03531
     10       3.5409     -0.01023
     11       5.6743     -0.00000
     12       6.0226     -0.00000
     13       8.4310     -0.00000
     14       8.8760      0.00000
     15      10.2230      0.00000
     16      10.5351      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0418      0.00000
     16      12.6340      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0418      0.00000
     16      12.6290      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2747      1.00000
      2      -9.3358      1.00000
      3      -7.9761      1.00000
      4      -6.1373      1.00000
      5      -3.6721      1.00000
      6      -0.9546      1.00000
      7       2.2860      1.00000
      8       5.1677     -0.00000
      9       5.9238     -0.00000
     10       8.4174     -0.00000
     11       8.4611     -0.00000
     12      11.4155      0.00000
     13      11.4317      0.00000
     14      11.8994      0.00000
     15      12.0424      0.00000
     16      12.6907      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7365      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4408      1.00000
      2      -8.4988      1.00000
      3      -7.1348      1.00000
      4      -5.2903      1.00000
      5      -2.8129      1.00000
      6      -0.1202      1.00000
      7       3.0888      0.76836
      8       5.8205     -0.00000
      9       6.5920     -0.00000
     10       7.8459     -0.00000
     11       8.6116     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8489      0.00000
     15      10.1752      0.00000
     16      10.7364      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0472      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0593      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0509      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0516      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6185      0.00000
     16      10.2428      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1886      1.00000
      2      -7.2415      1.00000
      3      -5.8711      1.00000
      4      -4.0209      1.00000
      5      -1.5390      1.00000
      6       1.0967      1.00000
      7       3.8161     -0.00002
      8       4.6911     -0.00000
      9       5.4305     -0.00000
     10       6.5185     -0.00000
     11       7.0818     -0.00000
     12       7.6882     -0.00000
     13       8.1689     -0.00000
     14       8.8854      0.00000
     15       9.6184      0.00000
     16      10.0592      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5153      1.00000
      2      -5.5609      1.00000
      3      -4.1851      1.00000
      4      -2.3422      1.00000
      5       0.0279      1.00000
      6       0.9905      1.00000
      7       1.9952      1.00000
      8       2.9951      0.99172
      9       3.5333     -0.01143
     10       5.1809     -0.00000
     11       5.9246     -0.00000
     12       7.3359     -0.00000
     13       7.9801     -0.00000
     14       8.6449      0.00000
     15       9.0962      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7055      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7061      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7062      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7056      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7055      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4175      1.00000
      2      -3.4591      1.00000
      3      -2.1021      1.00000
      4      -1.9067      1.00000
      5      -1.0200      1.00000
      6      -0.3652      1.00000
      7       0.6472      1.00000
      8       2.2851      1.00000
      9       2.6665      1.00144
     10       4.7488     -0.00000
     11       4.9039     -0.00000
     12       7.0267     -0.00000
     13       7.4957     -0.00000
     14       8.0236     -0.00000
     15       8.8672      0.00000
     16       9.7075      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0469      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0414      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3976      1.00000
      2      -7.4513      1.00000
      3      -6.0820      1.00000
      4      -4.2322      1.00000
      5      -1.7485      1.00000
      6       0.9051      1.00000
      7       3.9804     -0.00000
      8       6.0135     -0.00000
      9       6.4875     -0.00000
     10       7.2354     -0.00000
     11       7.3137     -0.00000
     12       7.5162     -0.00000
     13       7.5959     -0.00000
     14       8.3889     -0.00000
     15       8.7500      0.00000
     16      10.0451      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7489      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9346      1.00000
      2      -5.9820      1.00000
      3      -4.6067      1.00000
      4      -2.7571      1.00000
      5      -0.3012      1.00000
      6       2.1635      1.00000
      7       3.1245      0.63673
      8       4.1225     -0.00000
      9       5.0890     -0.00000
     10       5.3678     -0.00000
     11       5.9205     -0.00000
     12       6.4992     -0.00000
     13       7.0115     -0.00000
     14       7.7640     -0.00000
     15       8.4081     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8502      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8273      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8440      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8547      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8587     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8472      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0485      1.00000
      2      -4.0900      1.00000
      3      -2.7169      1.00000
      4      -0.9172      1.00000
      5      -0.0659      1.00000
      6       0.7428      1.00000
      7       1.7164      1.00000
      8       2.6006      1.00030
      9       4.0693     -0.00000
     10       4.2599     -0.00000
     11       4.8586     -0.00000
     12       5.7471     -0.00000
     13       6.6370     -0.00000
     14       7.4092     -0.00000
     15       7.5471     -0.00000
     16       8.8745      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6659      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6658      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7510      1.00000
      2      -2.7339      1.00000
      3      -1.8034      1.00000
      4      -1.7826      1.00000
      5      -0.6667      1.00000
      6      -0.2794      1.00000
      7       1.2235      1.00000
      8       1.9604      1.00000
      9       3.7871     -0.00004
     10       3.9048     -0.00000
     11       4.7204     -0.00000
     12       5.7692     -0.00000
     13       6.3929     -0.00000
     14       6.7641     -0.00000
     15       7.1352     -0.00000
     16       8.6673      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6891      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6879      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2589      1.00000
      2      -4.3008      1.00000
      3      -2.9249      1.00000
      4      -1.1000      1.00000
      5       1.1609      1.00000
      6       2.0900      1.00000
      7       2.2532      1.00000
      8       2.9987      0.98739
      9       3.4672     -0.02514
     10       4.2381     -0.00000
     11       4.4935     -0.00000
     12       4.8625     -0.00000
     13       6.1965     -0.00000
     14       6.8410     -0.00000
     15       7.2724     -0.00000
     16       8.6890      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2376     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2405     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41341
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2394     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41341
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2451     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2394     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1617      1.00000
      2      -2.2067      1.00000
      3      -0.8656      1.00000
      4      -0.6604      1.00000
      5       0.2025      1.00000
      6       0.8168      1.00000
      7       1.7464      1.00000
      8       1.8320      1.00000
      9       2.5774      1.00017
     10       3.1770      0.41342
     11       4.1378     -0.00000
     12       4.6654     -0.00000
     13       6.0513     -0.00000
     14       6.1476     -0.00000
     15       6.3692     -0.00000
     16       8.2433     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8813      1.00000
      2      -0.8788      1.00000
      3      -0.8520      1.00000
      4      -0.0111      1.00000
      5       0.0859      1.00000
      6       0.0898      1.00000
      7       1.1040      1.00000
      8       1.1085      1.00000
      9       1.7980      1.00000
     10       2.6642      1.00138
     11       4.0815     -0.00000
     12       4.0830     -0.00000
     13       5.9918     -0.00000
     14       5.9980     -0.00000
     15       6.0829     -0.00000
     16       8.0158     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.958 -61.933   0.000  -0.153   0.000  -0.000  -0.011  -0.000
-61.933  33.078  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.153   0.073  -0.000   1.699   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000
 -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6484: real time    426.7526
    FORNL :  cpu time      0.4986: real time      0.5045
    FORCOR:  cpu time      1.9651: real time      1.9770
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.238E-05 -.154E-05 0.182E+03   0.435E-13 0.255E-13 -.181E+03   -.271E-05 0.153E-05 -.107E+01
   0.137E-05 -.178E-06 0.925E+02   0.107E-14 0.271E-14 -.925E+02   -.260E-05 0.107E-06 -.729E-01
   0.759E-06 0.294E-05 -.184E+00   -.146E-12 -.838E-13 0.180E+00   -.998E-06 -.298E-05 0.160E-01
   0.233E-05 0.153E-05 -.927E+02   0.135E-12 0.862E-13 0.926E+02   -.286E-05 -.258E-05 0.101E+00
   -.219E-05 -.118E-05 -.182E+03   -.431E-13 -.274E-13 0.181E+03   0.178E-05 0.175E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.615E-05 0.231E-05 0.102E-01   -.971E-14 0.313E-14 0.000E+00   -.739E-05 -.217E-05 -.260E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001      0.000000     -0.036486
      0.00000      0.00000      2.36620        -0.000001     -0.000000     -0.004358
      1.42873      0.82488      4.67523        -0.000000     -0.000000      0.009911
      2.85746      1.64976      6.98740         0.000000     -0.000001      0.019392
      0.00000      0.00000      9.36310         0.000000      0.000001      0.011541
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000000      0.007202


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90396753 eV

  energy  without entropy=      -13.89678929  energy(sigma->0) =      -13.90157479
 
 d Force = 0.2871466E-04[ 0.300E-04, 0.275E-04]  d Energy = 0.2917294E-04-0.458E-06
 d Force = 0.1369384E+00[ 0.137E+00, 0.137E+00]  d Ewald  = 0.1369384E+00-0.173E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9626: real time      1.9745


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.302E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.2181
 eigenvalue spectrum of G is  4.9482  1.4879


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0551
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9617: real time      1.9745
    EDDIAG:  cpu time    578.5444: real time    583.4771
    CHARGE:  cpu time      0.2631: real time      0.2652
 writing wavefunctions
     LOOP+:  cpu time   5112.9941: real time   5156.2985


--------------------------------------- Iteration     26(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2347: real time      1.2404
    TRIAL :  cpu time    588.2118: real time    593.1857
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2631: real time      0.2652
    --------------------------------------------
      LOOP:  cpu time    590.4470: real time    595.4358

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8685122E-03  (-0.1496907E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008814 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.43083764
  -exchange      EXHF   =        33.27594246
  -V(xc)+E(xc)   XCENC  =       -83.54587838
  PAW double counting   =    101015.58376614  -100914.62600235
  entropy T*S    EENTRO =        -0.00736455
  eigenvalues    EBANDS =       -34.87293466
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90309339 eV

  energy without entropy =      -13.89572884  energy(sigma->0) =      -13.90063854
  exchange ACFDT corr.  =        -0.00673592  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2376: real time      1.2430
    TRIAL :  cpu time    589.6011: real time    594.6065
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2620: real time      0.2642
    --------------------------------------------
      LOOP:  cpu time    591.8276: real time    596.8467

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7809125E-04  (-0.1068349E-02)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008786 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.00721676
  -exchange      EXHF   =        33.27487075
  -V(xc)+E(xc)   XCENC  =       -83.54629961
  PAW double counting   =    101011.37486840  -100910.41704757
  entropy T*S    EENTRO =        -0.00737074
  eigenvalues    EBANDS =       -35.29520013
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90317148 eV

  energy without entropy =      -13.89580074  energy(sigma->0) =      -13.90071457
  exchange ACFDT corr.  =        -0.00672228  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7277
    SETDIJ:  cpu time      1.2371: real time      1.2425
    TRIAL :  cpu time    580.1123: real time    585.1158
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2627: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time    582.3380: real time    587.3557

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4546007E-03  (-0.1279649E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008777 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -703.89873988
  -exchange      EXHF   =        33.27472778
  -V(xc)+E(xc)   XCENC  =       -83.54639487
  PAW double counting   =    101010.69918054  -100909.74136443
  entropy T*S    EENTRO =        -0.00738500
  eigenvalues    EBANDS =       -35.40388247
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90362608 eV

  energy without entropy =      -13.89624109  energy(sigma->0) =      -13.90116442
  exchange ACFDT corr.  =        -0.00672645  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7271
    SETDIJ:  cpu time      1.2346: real time      1.2403
    TRIAL :  cpu time    584.7446: real time    589.7550
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    586.9702: real time    591.9946

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7974640E-04  (-0.2473856E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008770 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.07952035
  -exchange      EXHF   =        33.27538374
  -V(xc)+E(xc)   XCENC  =       -83.54620191
  PAW double counting   =    101012.36091438  -100911.40307292
  entropy T*S    EENTRO =        -0.00739498
  eigenvalues    EBANDS =       -35.22404176
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370583 eV

  energy without entropy =      -13.89631085  energy(sigma->0) =      -13.90124084
  exchange ACFDT corr.  =        -0.00675372  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7271
    SETDIJ:  cpu time      1.2294: real time      1.2352
    TRIAL :  cpu time    583.6378: real time    588.6476
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2636: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    585.8567: real time    590.8806

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3221100E-04  (-0.1558127E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0008755 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.17801688
  -exchange      EXHF   =        33.27581807
  -V(xc)+E(xc)   XCENC  =       -83.54607637
  PAW double counting   =    101012.84204712  -100911.88421287
  entropy T*S    EENTRO =        -0.00739757
  eigenvalues    EBANDS =       -35.12612012
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90373804 eV

  energy without entropy =      -13.89634047  energy(sigma->0) =      -13.90127219
  exchange ACFDT corr.  =        -0.00675974  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7274
    SETDIJ:  cpu time      1.2326: real time      1.2379
    TRIAL :  cpu time    583.8158: real time    588.8122
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    586.0382: real time    591.0486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7761450E-04  (-0.1293894E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0008730 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.11458940
  -exchange      EXHF   =        33.27578932
  -V(xc)+E(xc)   XCENC  =       -83.54610265
  PAW double counting   =    101012.12923772  -100911.17135020
  entropy T*S    EENTRO =        -0.00739934
  eigenvalues    EBANDS =       -35.18962087
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381566 eV

  energy without entropy =      -13.89641632  energy(sigma->0) =      -13.90134921
  exchange ACFDT corr.  =        -0.00676425  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7273
    SETDIJ:  cpu time      1.2308: real time      1.2365
    TRIAL :  cpu time    580.0743: real time    585.0642
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2635: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    582.2948: real time    587.2992

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3809429E-05  (-0.4148165E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008704 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.05072995
  -exchange      EXHF   =        33.27571937
  -V(xc)+E(xc)   XCENC  =       -83.54612997
  PAW double counting   =    101012.43846627  -100911.48056896
  entropy T*S    EENTRO =        -0.00740372
  eigenvalues    EBANDS =       -35.25339488
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381947 eV

  energy without entropy =      -13.89641575  energy(sigma->0) =      -13.90135156
  exchange ACFDT corr.  =        -0.00676786  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7273
    SETDIJ:  cpu time      1.2328: real time      1.2386
    TRIAL :  cpu time    586.7626: real time    591.7489
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2640: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    588.9859: real time    593.9866

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1001917E-04  (-0.2160432E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008682 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.07171030
  -exchange      EXHF   =        33.27584634
  -V(xc)+E(xc)   XCENC  =       -83.54607940
  PAW double counting   =    101014.28325303  -100913.32535536
  entropy T*S    EENTRO =        -0.00740854
  eigenvalues    EBANDS =       -35.23259808
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90382948 eV

  energy without entropy =      -13.89642094  energy(sigma->0) =      -13.90135997
  exchange ACFDT corr.  =        -0.00677525  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2302: real time      1.2359
    TRIAL :  cpu time    585.3388: real time    590.3483
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2651: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    587.5602: real time    592.5836

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1176343E-04  (-0.3452822E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008663 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.11483267
  -exchange      EXHF   =        33.27600689
  -V(xc)+E(xc)   XCENC  =       -83.54601736
  PAW double counting   =    101016.24345599  -100915.28556205
  entropy T*S    EENTRO =        -0.00741220
  eigenvalues    EBANDS =       -35.18970150
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384125 eV

  energy without entropy =      -13.89642904  energy(sigma->0) =      -13.90137051
  exchange ACFDT corr.  =        -0.00678318  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     26(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2313: real time      1.2370
    TRIAL :  cpu time    586.5991: real time    591.6283
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    587.9962: real time    592.9600
    CHARGE:  cpu time      0.2643: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time   1176.8169: real time   1186.8239

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2041445E-05  (-0.8105514E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008645 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       406.13883374
  -Hartree energ DENC   =      -704.11623725
  -exchange      EXHF   =        33.27599202
  -V(xc)+E(xc)   XCENC  =       -83.54600598
  PAW double counting   =    101017.41946899  -100916.46156481
  entropy T*S    EENTRO =        -0.00741514
  eigenvalues    EBANDS =       -35.18834550
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90384329 eV

  energy without entropy =      -13.89642815  energy(sigma->0) =      -13.90137157
  exchange ACFDT corr.  =        -0.00678854  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9693


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8865       2 -69.7578       3 -69.7534       4 -69.7742       5 -69.9074
 
 
 
 E-fermi :   3.1564     XC(G=0):  -5.1193     alpha+bet : -8.9779

 Fermi energy:         3.1564213320

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9023      1.00000
      2      -9.9592      1.00000
      3      -8.6038      1.00000
      4      -6.7736      1.00000
      5      -4.3144      1.00000
      6      -1.5814      1.00000
      7       1.6616      1.00000
      8       4.6269     -0.00000
      9       5.4017     -0.00000
     10       7.9243     -0.00000
     11       7.9896     -0.00000
     12      11.8879      0.00000
     13      12.1890      0.00000
     14      16.0460      0.00000
     15      16.0545      0.00000
     16      16.0661      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8776      0.00000
     16      14.3108      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8775      0.00000
     16      14.3129      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8775      0.00000
     16      14.3108      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5025      0.00000
     16      12.7612      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5026      0.00000
     16      12.7722      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5030      0.00000
     16      12.8107      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6025      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6050      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6137      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5124      0.00000
     16      10.8224      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5124      0.00000
     16      10.8215      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5124      0.00000
     16      10.8217      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.4168      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.3878      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.3900      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8800      0.00000
     15      10.2201      0.00000
     16      10.5353      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8800      0.00000
     15      10.2201      0.00000
     16      10.5353      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8800      0.00000
     15      10.2201      0.00000
     16      10.5353      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0460      0.00000
     16      12.6366      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0460      0.00000
     16      12.6328      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0460      0.00000
     16      12.6360      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74788
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0574      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0484      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.1798      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.1579      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0511      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6222      0.00000
     16      10.0669      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7088      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7107      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7086      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7083      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7082      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7086      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0411      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0511      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0437      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65447
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8360      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8428      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8300      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8739      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8596      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8737      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6716      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6688      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6682      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6900      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6937      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6948      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41658
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2391     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2441     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41659
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2405     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41659
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2409     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41659
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2402     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.3571     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8836      1.00000
      2      -0.8829      1.00000
      3      -0.8560      1.00000
      4      -0.0100      1.00000
      5       0.0917      1.00000
      6       0.0932      1.00000
      7       1.1084      1.00000
      8       1.1094      1.00000
      9       1.7992      1.00000
     10       2.6620      1.00129
     11       4.0762     -0.00000
     12       4.0854     -0.00000
     13       5.9936     -0.00000
     14       6.0019     -0.00000
     15       6.0892     -0.00000
     16       8.0155     -0.00000
 Fermi energy:         3.1564213320

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9023      1.00000
      2      -9.9592      1.00000
      3      -8.6038      1.00000
      4      -6.7736      1.00000
      5      -4.3144      1.00000
      6      -1.5814      1.00000
      7       1.6617      1.00000
      8       4.6269     -0.00000
      9       5.4017     -0.00000
     10       7.9243     -0.00000
     11       7.9896     -0.00000
     12      11.8879      0.00000
     13      12.1890      0.00000
     14      16.0493      0.00000
     15      16.0574      0.00000
     16      16.1280      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8775      0.00000
     16      14.3106      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8775      0.00000
     16      14.3106      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6939      1.00000
      2      -9.7501      1.00000
      3      -8.3937      1.00000
      4      -6.5619      1.00000
      5      -4.0985      1.00000
      6      -1.3715      1.00000
      7       1.8750      1.00000
      8       4.8100     -0.00000
      9       5.5761     -0.00000
     10       8.0921     -0.00000
     11       8.1546     -0.00000
     12      12.0166      0.00000
     13      12.2825      0.00000
     14      13.1134      0.00000
     15      13.8775      0.00000
     16      14.3107      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5034      0.00000
     16      12.7982      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5025      0.00000
     16      12.7614      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0687      1.00000
      2      -9.1227      1.00000
      3      -7.7631      1.00000
      4      -5.9268      1.00000
      5      -3.4522      1.00000
      6      -0.7429      1.00000
      7       2.4997      1.00002
      8       5.3420     -0.00000
      9       6.0939     -0.00000
     10       8.4755     -0.00000
     11       8.6254      0.00000
     12       9.7203      0.00000
     13      10.2951      0.00000
     14      11.3917      0.00000
     15      12.5028      0.00000
     16      12.7801      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6033      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6116      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0262      1.00000
      2      -8.0761      1.00000
      3      -6.7111      1.00000
      4      -4.8683      1.00000
      5      -2.3813      1.00000
      6       0.2935      1.00000
      7       3.4507     -0.02929
      8       5.6402     -0.00000
      9       6.5360     -0.00000
     10       6.8905     -0.00000
     11       7.0405     -0.00000
     12       8.0780     -0.00000
     13       9.3942      0.00000
     14       9.5740      0.00000
     15       9.8048      0.00000
     16      11.6063      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5123      0.00000
     16      10.8218      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5124      0.00000
     16      10.8235      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5643      1.00000
      2      -6.6077      1.00000
      3      -5.2360      1.00000
      4      -3.3901      1.00000
      5      -0.9168      1.00000
      6       1.5801      1.00000
      7       2.5329      1.00004
      8       3.5518     -0.00879
      9       4.8188     -0.00000
     10       5.1638     -0.00000
     11       6.5061     -0.00000
     12       7.6471     -0.00000
     13       8.2037     -0.00000
     14       8.7271      0.00000
     15      10.5124      0.00000
     16      10.8233      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.3906      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.3946      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6792      1.00000
      2      -4.7152      1.00000
      3      -3.3425      1.00000
      4      -1.5366      1.00000
      5      -0.6860      1.00000
      6       0.1447      1.00000
      7       1.1294      1.00000
      8       2.0323      1.00000
      9       3.6361     -0.00184
     10       3.7443     -0.00014
     11       5.9477     -0.00000
     12       6.7380     -0.00000
     13       8.2410     -0.00000
     14       9.1916      0.00000
     15       9.7419      0.00000
     16      10.3944      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8801      0.00000
     15      10.2201      0.00000
     16      10.5355      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8801      0.00000
     15      10.2201      0.00000
     16      10.5354      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3797      1.00000
      2      -3.3635      1.00000
      3      -2.4125      1.00000
      4      -2.4120      1.00000
      5      -1.2781      1.00000
      6      -0.8901      1.00000
      7       0.6214      1.00000
      8       1.3663      1.00000
      9       3.3982     -0.03539
     10       3.5458     -0.00974
     11       5.6750     -0.00000
     12       6.0249     -0.00000
     13       8.4373     -0.00000
     14       8.8801      0.00000
     15      10.2202      0.00000
     16      10.5353      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0460      0.00000
     16      12.6332      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0461      0.00000
     16      12.6295      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2772      1.00000
      2      -9.3319      1.00000
      3      -7.9734      1.00000
      4      -6.1385      1.00000
      5      -3.6674      1.00000
      6      -0.9522      1.00000
      7       2.2944      1.00000
      8       5.1692     -0.00000
      9       5.9228     -0.00000
     10       8.4165     -0.00000
     11       8.4627     -0.00000
     12      11.4120      0.00000
     13      11.4290      0.00000
     14      11.9015      0.00000
     15      12.0466      0.00000
     16      12.6897      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74787
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74787
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74786
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74786
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74786
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4434      1.00000
      2      -8.4950      1.00000
      3      -7.1321      1.00000
      4      -5.2917      1.00000
      5      -2.8084      1.00000
      6      -0.1180      1.00000
      7       3.0965      0.74787
      8       5.8219     -0.00000
      9       6.5908     -0.00000
     10       7.8427     -0.00000
     11       8.6157     -0.00000
     12       8.9970      0.00000
     13       9.4159      0.00000
     14       9.8518      0.00000
     15      10.1737      0.00000
     16      10.7389      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0499      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0582      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0528      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0534      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.2387      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1913      1.00000
      2      -7.2376      1.00000
      3      -5.8685      1.00000
      4      -4.0225      1.00000
      5      -1.5347      1.00000
      6       1.0986      1.00000
      7       3.8173     -0.00002
      8       4.6929     -0.00000
      9       5.4350     -0.00000
     10       6.5205     -0.00000
     11       7.0824     -0.00000
     12       7.6872     -0.00000
     13       8.1675     -0.00000
     14       8.8824      0.00000
     15       9.6220      0.00000
     16      10.0586      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01127
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5182      1.00000
      2      -5.5571      1.00000
      3      -4.1826      1.00000
      4      -2.3439      1.00000
      5       0.0313      1.00000
      6       0.9877      1.00000
      7       1.9979      1.00000
      8       2.9973      0.99027
      9       3.5355     -0.01126
     10       5.1792     -0.00000
     11       5.9302     -0.00000
     12       7.3388     -0.00000
     13       7.9802     -0.00000
     14       8.6447      0.00000
     15       9.0954      0.00000
     16       9.1460      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7082      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7089      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7089      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7084      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7082      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4207      1.00000
      2      -3.4555      1.00000
      3      -2.0996      1.00000
      4      -1.9102      1.00000
      5      -1.0171      1.00000
      6      -0.3655      1.00000
      7       0.6485      1.00000
      8       2.2854      1.00000
      9       2.6683      1.00145
     10       4.7528     -0.00000
     11       4.9050     -0.00000
     12       7.0274     -0.00000
     13       7.4975     -0.00000
     14       8.0253     -0.00000
     15       8.8721      0.00000
     16       9.7098      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0463      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0403      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4003      1.00000
      2      -7.4475      1.00000
      3      -6.0794      1.00000
      4      -4.2337      1.00000
      5      -1.7442      1.00000
      6       0.9071      1.00000
      7       3.9865     -0.00000
      8       6.0125     -0.00000
      9       6.4853     -0.00000
     10       7.2355     -0.00000
     11       7.3142     -0.00000
     12       7.5202     -0.00000
     13       7.5960     -0.00000
     14       8.3915     -0.00000
     15       8.7517      0.00000
     16      10.0441      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9375      1.00000
      2      -5.9783      1.00000
      3      -4.6041      1.00000
      4      -2.7588      1.00000
      5      -0.2972      1.00000
      6       2.1646      1.00000
      7       3.1216      0.65446
      8       4.1258     -0.00000
      9       5.0891     -0.00000
     10       5.3699     -0.00000
     11       5.9232     -0.00000
     12       6.5027     -0.00000
     13       7.0119     -0.00000
     14       7.7652     -0.00000
     15       8.4086     -0.00000
     16       8.7481      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8522      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8278      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8432      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8549      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8450      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0516      1.00000
      2      -4.0863      1.00000
      3      -2.7143      1.00000
      4      -0.9189      1.00000
      5      -0.0697      1.00000
      6       0.7466      1.00000
      7       1.7194      1.00000
      8       2.6032      1.00032
      9       4.0693     -0.00000
     10       4.2592     -0.00000
     11       4.8564     -0.00000
     12       5.7504     -0.00000
     13       6.6400     -0.00000
     14       7.4120     -0.00000
     15       7.5533     -0.00000
     16       8.8763      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6647      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6647      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7541      1.00000
      2      -2.7375      1.00000
      3      -1.8009      1.00000
      4      -1.7780      1.00000
      5      -0.6640      1.00000
      6      -0.2775      1.00000
      7       1.2213      1.00000
      8       1.9590      1.00000
      9       3.7903     -0.00004
     10       3.9064     -0.00000
     11       4.7206     -0.00000
     12       5.7717     -0.00000
     13       6.3934     -0.00000
     14       6.7669     -0.00000
     15       7.1374     -0.00000
     16       8.6660      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6912      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6901      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2620      1.00000
      2      -4.2971      1.00000
      3      -2.9224      1.00000
      4      -1.1019      1.00000
      5       1.1639      1.00000
      6       2.0872      1.00000
      7       2.2506      1.00000
      8       3.0002      0.98695
      9       3.4712     -0.02449
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8643     -0.00000
     13       6.1948     -0.00000
     14       6.8399     -0.00000
     15       7.2783     -0.00000
     16       8.6911      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0525     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2401     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2426     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2417     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2463     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41659
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2416     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1650      1.00000
      2      -2.2031      1.00000
      3      -0.8633      1.00000
      4      -0.6637      1.00000
      5       0.2053      1.00000
      6       0.8167      1.00000
      7       1.7436      1.00000
      8       1.8325      1.00000
      9       2.5809      1.00018
     10       3.1770      0.41660
     11       4.1399     -0.00000
     12       4.6673     -0.00000
     13       6.0524     -0.00000
     14       6.1481     -0.00000
     15       6.3712     -0.00000
     16       8.2448     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8836      1.00000
      2      -0.8829      1.00000
      3      -0.8560      1.00000
      4      -0.0100      1.00000
      5       0.0917      1.00000
      6       0.0932      1.00000
      7       1.1084      1.00000
      8       1.1094      1.00000
      9       1.7992      1.00000
     10       2.6620      1.00129
     11       4.0762     -0.00000
     12       4.0854     -0.00000
     13       5.9936     -0.00000
     14       6.0019     -0.00000
     15       6.0892     -0.00000
     16       8.0159     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.966 -61.937   0.000  -0.158   0.000  -0.000  -0.010  -0.000
-61.937  33.081  -0.000   0.076  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.158   0.076  -0.000   1.697  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.067   0.000   0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007   0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6931: real time    426.7836
    FORNL :  cpu time      0.4991: real time      0.5051
    FORCOR:  cpu time      1.9621: real time      1.9739
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.485E-05 -.931E-05 0.182E+03   0.404E-13 0.260E-13 -.181E+03   -.567E-05 0.107E-04 -.106E+01
   0.399E-05 -.155E-05 0.927E+02   0.207E-14 0.698E-14 -.926E+02   -.461E-05 0.217E-05 -.915E-01
   0.113E-05 -.339E-05 -.213E+00   -.146E-12 -.867E-13 0.207E+00   -.172E-05 0.234E-05 0.262E-01
   -.128E-05 -.139E-05 -.929E+02   0.139E-12 0.799E-13 0.928E+02   0.365E-05 0.308E-06 0.121E+00
   -.498E-06 -.238E-05 -.182E+03   -.446E-13 -.231E-13 0.181E+03   0.832E-06 0.202E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.876E-05 -.188E-04 0.983E-02   -.971E-14 0.313E-14 0.000E+00   -.753E-05 0.175E-04 0.112E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001      0.000002     -0.030747
      0.00000      0.00000      2.36739        -0.000001      0.000001     -0.013435
      1.42873      0.82488      4.67325        -0.000001     -0.000001      0.015322
      2.85746      1.64976      6.98325         0.000002     -0.000001      0.026714
      0.00000      0.00000      9.36061         0.000000     -0.000000      0.002146
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001      0.022020


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90384329 eV

  energy  without entropy=      -13.89642815  energy(sigma->0) =      -13.90137157
 
 d Force =-0.1482039E-03[-0.162E-03,-0.134E-03]  d Energy =-0.1242447E-03-0.240E-04
 d Force =-0.9444912E+00[-0.945E+00,-0.944E+00]  d Ewald  =-0.9444912E+00 0.182E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9497: real time      1.9618


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.547E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.3297
 eigenvalue spectrum of G is  2.3297


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0780
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0854
    POTLOK:  cpu time      1.9502: real time      1.9622
    EDDIAG:  cpu time    578.2042: real time    583.1056
    CHARGE:  cpu time      0.2656: real time      0.2678
 writing wavefunctions
     LOOP+:  cpu time   7468.6927: real time   7532.1158


--------------------------------------- Iteration     27(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7274
    SETDIJ:  cpu time      1.2281: real time      1.2334
    TRIAL :  cpu time    581.5411: real time    586.5719
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2646: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    583.7691: real time    588.8146

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1639734E-02  (-0.3387776E-02)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009076 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.50631869
  -exchange      EXHF   =        33.27077277
  -V(xc)+E(xc)   XCENC  =       -83.54766739
  PAW double counting   =    100951.52437888  -100850.56592638
  entropy T*S    EENTRO =        -0.00712717
  eigenvalues    EBANDS =       -35.16313417
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90220151 eV

  energy without entropy =      -13.89507435  energy(sigma->0) =      -13.89982579
  exchange ACFDT corr.  =        -0.00654313  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2346: real time      1.2404
    TRIAL :  cpu time    586.0431: real time    591.0980
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2674
    --------------------------------------------
      LOOP:  cpu time    588.2698: real time    593.3389

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1032528E-03  (-0.2843960E-02)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009128 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.46515793
  -exchange      EXHF   =        33.27022614
  -V(xc)+E(xc)   XCENC  =       -83.54781686
  PAW double counting   =    100945.75538440  -100844.79695436
  entropy T*S    EENTRO =        -0.00711315
  eigenvalues    EBANDS =       -35.20369560
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90230477 eV

  energy without entropy =      -13.89519162  energy(sigma->0) =      -13.89993372
  exchange ACFDT corr.  =        -0.00652747  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7267
    SETDIJ:  cpu time      1.2300: real time      1.2354
    TRIAL :  cpu time    580.2627: real time    585.3145
    CORREC:  cpu time      0.0043: real time      0.0043
    CHARGE:  cpu time      0.2627: real time      0.2648
    --------------------------------------------
      LOOP:  cpu time    582.4810: real time    587.5464

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1273157E-02  (-0.2302524E-03)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009192 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.46008539
  -exchange      EXHF   =        33.26968848
  -V(xc)+E(xc)   XCENC  =       -83.54796453
  PAW double counting   =    100939.88597699  -100838.92759635
  entropy T*S    EENTRO =        -0.00709938
  eigenvalues    EBANDS =       -35.20932058
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90357792 eV

  energy without entropy =      -13.89647855  energy(sigma->0) =      -13.90121147
  exchange ACFDT corr.  =        -0.00651222  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7270
    SETDIJ:  cpu time      1.2274: real time      1.2333
    TRIAL :  cpu time    592.3484: real time    597.4322
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2645: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    594.5661: real time    599.6640

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1533879E-03  (-0.6173748E-03)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009238 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.47206408
  -exchange      EXHF   =        33.26927851
  -V(xc)+E(xc)   XCENC  =       -83.54807630
  PAW double counting   =    100935.78050326  -100834.82218908
  entropy T*S    EENTRO =        -0.00708781
  eigenvalues    EBANDS =       -35.19692085
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90373131 eV

  energy without entropy =      -13.89664350  energy(sigma->0) =      -13.90136871
  exchange ACFDT corr.  =        -0.00649649  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7272
    SETDIJ:  cpu time      1.2296: real time      1.2350
    TRIAL :  cpu time    585.0094: real time    590.0575
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2645: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    587.2297: real time    592.2914

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8393443E-04  (-0.3625756E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009247 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.47210316
  -exchange      EXHF   =        33.26899929
  -V(xc)+E(xc)   XCENC  =       -83.54815376
  PAW double counting   =    100935.52799760  -100834.56965891
  entropy T*S    EENTRO =        -0.00707861
  eigenvalues    EBANDS =       -35.19664508
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381525 eV

  energy without entropy =      -13.89673664  energy(sigma->0) =      -13.90145571
  exchange ACFDT corr.  =        -0.00648185  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2446: real time      1.2501
    TRIAL :  cpu time    585.3280: real time    590.3597
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    587.5626: real time    592.6080

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1652393E-03  (-0.1487425E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009231 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.46512904
  -exchange      EXHF   =        33.26885328
  -V(xc)+E(xc)   XCENC  =       -83.54819052
  PAW double counting   =    100940.16678488  -100839.20845178
  entropy T*S    EENTRO =        -0.00706994
  eigenvalues    EBANDS =       -35.20360529
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398049 eV

  energy without entropy =      -13.89691054  energy(sigma->0) =      -13.90162384
  exchange ACFDT corr.  =        -0.00646908  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2283: real time      1.2336
    TRIAL :  cpu time    580.4181: real time    585.4090
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2636: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    582.6372: real time    587.6418

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3326059E-05  (-0.9347061E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009205 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.45758065
  -exchange      EXHF   =        33.26878079
  -V(xc)+E(xc)   XCENC  =       -83.54820369
  PAW double counting   =    100946.64367023  -100845.68534086
  entropy T*S    EENTRO =        -0.00706185
  eigenvalues    EBANDS =       -35.21107628
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398381 eV

  energy without entropy =      -13.89692196  energy(sigma->0) =      -13.90162986
  exchange ACFDT corr.  =        -0.00645723  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2454: real time      1.2509
    TRIAL :  cpu time    585.7786: real time    590.8675
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2629: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time    588.0133: real time    593.1160

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1609176E-04  (-0.4780434E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009177 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.45613169
  -exchange      EXHF   =        33.26875183
  -V(xc)+E(xc)   XCENC  =       -83.54820448
  PAW double counting   =    100953.25350431  -100852.29516978
  entropy T*S    EENTRO =        -0.00705399
  eigenvalues    EBANDS =       -35.21252483
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90399990 eV

  energy without entropy =      -13.89694591  energy(sigma->0) =      -13.90164857
  exchange ACFDT corr.  =        -0.00644659  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2322: real time      1.2376
    TRIAL :  cpu time    585.3337: real time    590.3281
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2645: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    587.5565: real time    592.5646

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2571115E-04  (-0.5759783E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009148 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.45949802
  -exchange      EXHF   =        33.26874269
  -V(xc)+E(xc)   XCENC  =       -83.54819907
  PAW double counting   =    100959.09973820  -100858.14139571
  entropy T*S    EENTRO =        -0.00704611
  eigenvalues    EBANDS =       -35.20919631
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402561 eV

  energy without entropy =      -13.89697950  energy(sigma->0) =      -13.90167691
  exchange ACFDT corr.  =        -0.00643692  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7270
    SETDIJ:  cpu time      1.2443: real time      1.2497
    TRIAL :  cpu time    587.6429: real time    592.6467
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2641: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    589.8769: real time    594.8943

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2547516E-05  (-0.1675229E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009120 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.45942817
  -exchange      EXHF   =        33.26871518
  -V(xc)+E(xc)   XCENC  =       -83.54820220
  PAW double counting   =    100964.07457034  -100863.11620677
  entropy T*S    EENTRO =        -0.00703858
  eigenvalues    EBANDS =       -35.20926702
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402816 eV

  energy without entropy =      -13.89698958  energy(sigma->0) =      -13.90168197
  exchange ACFDT corr.  =        -0.00642771  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     27(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7271
    SETDIJ:  cpu time      1.2419: real time      1.2473
    TRIAL :  cpu time    582.2617: real time    587.2013
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    579.5734: real time    584.4522
    CHARGE:  cpu time      0.2644: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time   1164.0672: real time   1173.8991

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4984016E-05  (-0.6691815E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009093 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.51145235
  -Hartree energ DENC   =      -702.45655995
  -exchange      EXHF   =        33.26863119
  -V(xc)+E(xc)   XCENC  =       -83.54821204
  PAW double counting   =    100968.41535314  -100867.45699459
  entropy T*S    EENTRO =        -0.00703174
  eigenvalues    EBANDS =       -35.21208904
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90403315 eV

  energy without entropy =      -13.89700141  energy(sigma->0) =      -13.90168923
  exchange ACFDT corr.  =        -0.00641913  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9244


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9047       2 -69.7773       3 -69.7634       4 -69.7660       5 -69.8879
 
 
 
 E-fermi :   3.1566     XC(G=0):  -5.1204     alpha+bet : -8.9779

 Fermi energy:         3.1566210845

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8989      1.00000
      2      -9.9646      1.00000
      3      -8.6076      1.00000
      4      -6.7716      1.00000
      5      -4.3222      1.00000
      6      -1.5854      1.00000
      7       1.6476      1.00000
      8       4.6241     -0.00000
      9       5.4033     -0.00000
     10       7.9254     -0.00000
     11       7.9868     -0.00000
     12      11.8878      0.00000
     13      12.1864      0.00000
     14      16.0506      0.00000
     15      16.0567      0.00000
     16      16.0659      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3145      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3158      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3145      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5014      0.00000
     16      12.7617      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5016      0.00000
     16      12.7709      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5020      0.00000
     16      12.8069      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.5971      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.5995      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.6078      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5124      0.00000
     16      10.8211      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5124      0.00000
     16      10.8202      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5124      0.00000
     16      10.8204      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.4115      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.3919      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.3934      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01060
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5347      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01059
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5347      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01059
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5347      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0398      0.00000
     16      12.6338      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0398      0.00000
     16      12.6301      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0399      0.00000
     16      12.6350      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0487      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0419      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.1586      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.1367      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6887     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0438      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6170      0.00000
     16      10.0561      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99262
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99262
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0256      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7041      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7056      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7041      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7039      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7038      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7041      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0415      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0517      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0461      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62566
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8338      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8425      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8311      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8691      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8590      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8710      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6707      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6688      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6685      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6860      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6891      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6899      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2343     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2382     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41205
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2358     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7477      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2359     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41205
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2355     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.3399     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8805      1.00000
      2      -0.8767      1.00000
      3      -0.8500      1.00000
      4      -0.0113      1.00000
      5       0.0830      1.00000
      6       0.0890      1.00000
      7       1.1014      1.00000
      8       1.1089      1.00000
      9       1.7980      1.00000
     10       2.6660      1.00142
     11       4.0809     -0.00000
     12       4.0856     -0.00000
     13       5.9907     -0.00000
     14       5.9955     -0.00000
     15       6.0785     -0.00000
     16       8.0154     -0.00000
 Fermi energy:         3.1566210845

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8989      1.00000
      2      -9.9646      1.00000
      3      -8.6076      1.00000
      4      -6.7716      1.00000
      5      -4.3222      1.00000
      6      -1.5854      1.00000
      7       1.6476      1.00000
      8       4.6241     -0.00000
      9       5.4033     -0.00000
     10       7.9254     -0.00000
     11       7.9868     -0.00000
     12      11.8878      0.00000
     13      12.1864      0.00000
     14      16.0535      0.00000
     15      16.0600      0.00000
     16      16.1185      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3144      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3144      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6905      1.00000
      2      -9.7555      1.00000
      3      -8.3975      1.00000
      4      -6.5599      1.00000
      5      -4.1063      1.00000
      6      -1.3755      1.00000
      7       1.8610      1.00000
      8       4.8071     -0.00000
      9       5.5777     -0.00000
     10       8.0932     -0.00000
     11       8.1518     -0.00000
     12      12.0168      0.00000
     13      12.2807      0.00000
     14      13.1155      0.00000
     15      13.8733      0.00000
     16      14.3145      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5023      0.00000
     16      12.7938      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5014      0.00000
     16      12.7617      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0652      1.00000
      2      -9.1281      1.00000
      3      -7.7669      1.00000
      4      -5.9246      1.00000
      5      -3.4599      1.00000
      6      -0.7467      1.00000
      7       2.4862      1.00001
      8       5.3392     -0.00000
      9       6.0955     -0.00000
     10       8.4761     -0.00000
     11       8.6246      0.00000
     12       9.7225      0.00000
     13      10.2916      0.00000
     14      11.3881      0.00000
     15      12.5017      0.00000
     16      12.7773      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.5979      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.6058      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0224      1.00000
      2      -8.0814      1.00000
      3      -6.7148      1.00000
      4      -4.8659      1.00000
      5      -2.3887      1.00000
      6       0.2902      1.00000
      7       3.4392     -0.03098
      8       5.6413     -0.00000
      9       6.5367     -0.00000
     10       6.8855     -0.00000
     11       7.0420     -0.00000
     12       8.0749     -0.00000
     13       9.3959      0.00000
     14       9.5745      0.00000
     15       9.8033      0.00000
     16      11.6007      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5123      0.00000
     16      10.8205      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5124      0.00000
     16      10.8221      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6130      1.00000
      3      -5.2395      1.00000
      4      -3.3874      1.00000
      5      -0.9236      1.00000
      6       1.5781      1.00000
      7       2.5372      1.00005
      8       3.5471     -0.00922
      9       4.8147     -0.00000
     10       5.1531     -0.00000
     11       6.5093     -0.00000
     12       7.6453     -0.00000
     13       8.2051     -0.00000
     14       8.7208      0.00000
     15      10.5124      0.00000
     16      10.8217      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.3939      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.3966      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7203      1.00000
      3      -3.3460      1.00000
      4      -1.5338      1.00000
      5      -0.6806      1.00000
      6       0.1392      1.00000
      7       1.1247      1.00000
      8       2.0282      1.00000
      9       3.6384     -0.00171
     10       3.7421     -0.00014
     11       5.9418     -0.00000
     12       6.7278     -0.00000
     13       8.2378     -0.00000
     14       9.1902      0.00000
     15       9.7438      0.00000
     16      10.3965      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01060
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5349      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01060
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5348      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3752      1.00000
      2      -3.3580      1.00000
      3      -2.4184      1.00000
      4      -2.4159      1.00000
      5      -1.2820      1.00000
      6      -0.8926      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3933     -0.03522
     10       3.5375     -0.01060
     11       5.6740     -0.00000
     12       6.0212     -0.00000
     13       8.4269     -0.00000
     14       8.8733      0.00000
     15      10.2243      0.00000
     16      10.5347      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0398      0.00000
     16      12.6319      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0398      0.00000
     16      12.6273      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2737      1.00000
      2      -9.3373      1.00000
      3      -7.9771      1.00000
      4      -6.1364      1.00000
      5      -3.6751      1.00000
      6      -0.9560      1.00000
      7       2.2807      1.00000
      8       5.1664     -0.00000
      9       5.9244     -0.00000
     10       8.4178     -0.00000
     11       8.4601     -0.00000
     12      11.4171      0.00000
     13      11.4330      0.00000
     14      11.8986      0.00000
     15      12.0401      0.00000
     16      12.6810      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4397      1.00000
      2      -8.5003      1.00000
      3      -7.1358      1.00000
      4      -5.2893      1.00000
      5      -2.8159      1.00000
      6      -0.1215      1.00000
      7       3.0839      0.78063
      8       5.8193     -0.00000
      9       6.5926     -0.00000
     10       7.8475     -0.00000
     11       8.6098     -0.00000
     12       8.9981      0.00000
     13       9.4164      0.00000
     14       9.8477      0.00000
     15      10.1757      0.00000
     16      10.7357      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6887     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0429      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8152     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6887     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0500      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0451      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0454      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8151     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6170      0.00000
     16      10.2329      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2429      1.00000
      3      -5.8721      1.00000
      4      -4.0199      1.00000
      5      -1.5418      1.00000
      6       1.0956      1.00000
      7       3.8152     -0.00002
      8       4.6899     -0.00000
      9       5.4284     -0.00000
     10       6.5176     -0.00000
     11       7.0812     -0.00000
     12       7.6888     -0.00000
     13       8.1699     -0.00000
     14       8.8868      0.00000
     15       9.6169      0.00000
     16      10.0514      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99262
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99261
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5139      1.00000
      2      -5.5623      1.00000
      3      -4.1861      1.00000
      4      -2.3411      1.00000
      5       0.0255      1.00000
      6       0.9918      1.00000
      7       1.9943      1.00000
      8       2.9940      0.99262
      9       3.5323     -0.01151
     10       5.1820     -0.00000
     11       5.9209     -0.00000
     12       7.3339     -0.00000
     13       7.9800     -0.00000
     14       8.6448      0.00000
     15       9.0965      0.00000
     16       9.1407      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7038      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7041      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7042      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7038      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7038      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4605      1.00000
      3      -2.1030      1.00000
      4      -1.9051      1.00000
      5      -1.0211      1.00000
      6      -0.3647      1.00000
      7       0.6470      1.00000
      8       2.2851      1.00000
      9       2.6652      1.00142
     10       4.7462     -0.00000
     11       4.9032     -0.00000
     12       7.0261     -0.00000
     13       7.4944     -0.00000
     14       8.0225     -0.00000
     15       8.8647      0.00000
     16       9.7051      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0459      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0418      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3964      1.00000
      2      -7.4528      1.00000
      3      -6.0830      1.00000
      4      -4.2311      1.00000
      5      -1.7513      1.00000
      6       0.9040      1.00000
      7       3.9764     -0.00000
      8       6.0139     -0.00000
      9       6.4887     -0.00000
     10       7.2356     -0.00000
     11       7.3131     -0.00000
     12       7.5145     -0.00000
     13       7.5959     -0.00000
     14       8.3880     -0.00000
     15       8.7493      0.00000
     16      10.0449      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9835      1.00000
      3      -4.6077      1.00000
      4      -2.7560      1.00000
      5      -0.3039      1.00000
      6       2.1628      1.00000
      7       3.1260      0.62565
      8       4.1213     -0.00000
      9       5.0887     -0.00000
     10       5.3670     -0.00000
     11       5.9190     -0.00000
     12       6.4976     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4077     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8471      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8265      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8429      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8527      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8466      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0914      1.00000
      3      -2.7178      1.00000
      4      -0.9160      1.00000
      5      -0.0642      1.00000
      6       0.7412      1.00000
      7       1.7150      1.00000
      8       2.5994      1.00030
      9       4.0695     -0.00000
     10       4.2600     -0.00000
     11       4.8597     -0.00000
     12       5.7458     -0.00000
     13       6.6355     -0.00000
     14       7.4078     -0.00000
     15       7.5428     -0.00000
     16       8.8721      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6665      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6665      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8043      1.00000
      4      -1.7844      1.00000
      5      -0.6679      1.00000
      6      -0.2800      1.00000
      7       1.2250      1.00000
      8       1.9614      1.00000
      9       3.7852     -0.00004
     10       3.9032     -0.00000
     11       4.7202     -0.00000
     12       5.7684     -0.00000
     13       6.3928     -0.00000
     14       6.7623     -0.00000
     15       7.1342     -0.00000
     16       8.6671      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6869      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6861      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3022      1.00000
      3      -2.9259      1.00000
      4      -1.0988      1.00000
      5       1.1588      1.00000
      6       2.0912      1.00000
      7       2.2547      1.00000
      8       2.9983      0.98733
      9       3.4658     -0.02546
     10       4.2372     -0.00000
     11       4.4924     -0.00000
     12       4.8618     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2685     -0.00000
     16       8.6869      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2354     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2371     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7477      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2365     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7477      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2405     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7477      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41204
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2366     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2081      1.00000
      3      -0.8664      1.00000
      4      -0.6588      1.00000
      5       0.2016      1.00000
      6       0.8173      1.00000
      7       1.7476      1.00000
      8       1.8321      1.00000
      9       2.5760      1.00016
     10       3.1773      0.41205
     11       4.1365     -0.00000
     12       4.6647     -0.00000
     13       6.0507     -0.00000
     14       6.1473     -0.00000
     15       6.3678     -0.00000
     16       8.2388     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8805      1.00000
      2      -0.8767      1.00000
      3      -0.8500      1.00000
      4      -0.0113      1.00000
      5       0.0830      1.00000
      6       0.0890      1.00000
      7       1.1014      1.00000
      8       1.1089      1.00000
      9       1.7980      1.00000
     10       2.6660      1.00142
     11       4.0809     -0.00000
     12       4.0856     -0.00000
     13       5.9907     -0.00000
     14       5.9955     -0.00000
     15       6.0785     -0.00000
     16       8.0158     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.769  23.498  -0.000  -0.003  -0.000   0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000   0.000   5.466   0.000   0.000  15.759   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.766  -0.000
 -0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.958 -61.933  -0.000  -0.150  -0.000   0.000  -0.011   0.000
-61.933  33.079   0.000   0.071   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.067   0.000  -0.000  -0.321   0.000   0.000
 -0.150   0.071   0.000   1.701   0.000   0.000  -0.261  -0.000
 -0.000   0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.9700: real time    426.0177
    FORNL :  cpu time      0.4976: real time      0.5035
    FORCOR:  cpu time      1.9642: real time      1.9756
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.222E-05 -.349E-05 0.182E+03   0.405E-13 0.259E-13 -.181E+03   0.296E-05 0.346E-05 -.107E+01
   -.626E-06 -.303E-05 0.924E+02   -.264E-15 0.303E-14 -.924E+02   -.103E-05 0.373E-05 -.644E-01
   0.934E-06 0.152E-05 -.177E+00   -.142E-12 -.851E-13 0.169E+00   0.823E-06 0.208E-06 0.143E-01
   -.321E-06 0.407E-05 -.926E+02   0.139E-12 0.830E-13 0.925E+02   -.383E-06 -.425E-05 0.938E-01
   0.276E-05 0.890E-06 -.182E+03   -.467E-13 -.238E-13 0.181E+03   -.252E-05 -.263E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.342E-06 -.164E-06 -.141E-02   -.971E-14 0.313E-14 0.000E+00   -.151E-06 0.289E-05 -.100E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.033413
      0.00000      0.00000      2.36562        -0.000002      0.000000      0.003989
      1.42873      0.82488      4.67657         0.000001      0.000001      0.006031
      2.85746      1.64976      6.99024        -0.000000     -0.000000      0.009438
      0.00000      0.00000      9.36512        -0.000000     -0.000000      0.013956
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000003     -0.002715


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90403315 eV

  energy  without entropy=      -13.89700141  energy(sigma->0) =      -13.90168923
 
 d Force = 0.2063329E-03[ 0.142E-03, 0.271E-03]  d Energy = 0.1898567E-03 0.165E-04
 d Force = 0.1627381E+01[ 0.163E+01, 0.163E+01]  d Ewald  = 0.1627381E+01-0.811E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9590: real time      1.9706


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.162E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.2301
 eigenvalue spectrum of G is  3.2301


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0793
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9626: real time      1.9745
    EDDIAG:  cpu time    579.8635: real time    584.7489
    CHARGE:  cpu time      0.2618: real time      0.2643
 writing wavefunctions
     LOOP+:  cpu time   8046.5470: real time   8115.1657


--------------------------------------- Iteration     28(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2398: real time      1.2451
    TRIAL :  cpu time    590.6691: real time    595.6743
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    592.9090: real time    597.9286

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1444083E-04  (-0.5662484E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009123 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.39435450
  -Hartree energ DENC   =      -702.37412521
  -exchange      EXHF   =        33.26799414
  -V(xc)+E(xc)   XCENC  =       -83.54840041
  PAW double counting   =    100970.27238459  -100869.31398245
  entropy T*S    EENTRO =        -0.00700142
  eigenvalues    EBANDS =       -35.17664860
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90404260 eV

  energy without entropy =      -13.89704118  energy(sigma->0) =      -13.90170879
  exchange ACFDT corr.  =        -0.00637184  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     28(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2384: real time      1.2442
    TRIAL :  cpu time    587.5745: real time    592.6058
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    579.0903: real time    584.0189
    CHARGE:  cpu time      0.2610: real time      0.2631
    --------------------------------------------
      LOOP:  cpu time   1168.8907: real time   1178.8646

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3679001E-05  (-0.4489840E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009113 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.39435450
  -Hartree energ DENC   =      -702.33969935
  -exchange      EXHF   =        33.26766192
  -V(xc)+E(xc)   XCENC  =       -83.54846544
  PAW double counting   =    100971.04303697  -100870.08462768
  entropy T*S    EENTRO =        -0.00699980
  eigenvalues    EBANDS =       -35.21083469
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90404628 eV

  energy without entropy =      -13.89704648  energy(sigma->0) =      -13.90171302
  exchange ACFDT corr.  =        -0.00636859  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1067


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8972       2 -69.7735       3 -69.7649       4 -69.7708       5 -69.8940
 
 
 
 E-fermi :   3.1561     XC(G=0):  -5.1204     alpha+bet : -8.9779

 Fermi energy:         3.1561207962

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8990      1.00000
      2      -9.9638      1.00000
      3      -8.6073      1.00000
      4      -6.7721      1.00000
      5      -4.3229      1.00000
      6      -1.5858      1.00000
      7       1.6461      1.00000
      8       4.6234     -0.00000
      9       5.4034     -0.00000
     10       7.9254     -0.00000
     11       7.9863     -0.00000
     12      11.8875      0.00000
     13      12.1863      0.00000
     14      16.0503      0.00000
     15      16.0567      0.00000
     16      16.0658      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3144      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3156      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3144      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5011      0.00000
     16      12.7614      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5013      0.00000
     16      12.7704      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5017      0.00000
     16      12.8063      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03125
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.5967      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03125
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.5991      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03125
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.6073      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5123      0.00000
     16      10.8208      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5123      0.00000
     16      10.8199      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5123      0.00000
     16      10.8201      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.4108      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.3918      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.3933      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5345      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5346      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5345      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6337      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6301      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6343      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0480      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0414      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6175      0.00000
     16      10.1563      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.1346      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0433      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6175      0.00000
     16      10.0553      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0967      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9799     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9799     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9799     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99239
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9799     -0.00000
     14       8.6444      0.00000
     15       9.0967      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7039      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7053      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7040      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7037      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7037      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7040      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0413      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0517      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0462      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8336      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6356     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8418      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8307      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8688      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8589      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8710      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6702      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6684      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6681      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6857      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6887      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6895      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41010
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2340     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2379     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2355     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2356     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2352     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.3390     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8801      1.00000
      2      -0.8772      1.00000
      3      -0.8499      1.00000
      4      -0.0108      1.00000
      5       0.0850      1.00000
      6       0.0892      1.00000
      7       1.1032      1.00000
      8       1.1079      1.00000
      9       1.7986      1.00000
     10       2.6661      1.00144
     11       4.0826     -0.00000
     12       4.0833     -0.00000
     13       5.9900     -0.00000
     14       5.9954     -0.00000
     15       6.0779     -0.00000
     16       8.0152     -0.00000
 Fermi energy:         3.1561207962

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8990      1.00000
      2      -9.9638      1.00000
      3      -8.6073      1.00000
      4      -6.7721      1.00000
      5      -4.3229      1.00000
      6      -1.5858      1.00000
      7       1.6461      1.00000
      8       4.6234     -0.00000
      9       5.4034     -0.00000
     10       7.9254     -0.00000
     11       7.9863     -0.00000
     12      11.8875      0.00000
     13      12.1863      0.00000
     14      16.0531      0.00000
     15      16.0596      0.00000
     16      16.1165      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3143      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3143      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6906      1.00000
      2      -9.7548      1.00000
      3      -8.3972      1.00000
      4      -6.5603      1.00000
      5      -4.1070      1.00000
      6      -1.3759      1.00000
      7       1.8595      1.00000
      8       4.8064     -0.00000
      9       5.5778     -0.00000
     10       8.0933     -0.00000
     11       8.1514     -0.00000
     12      12.0166      0.00000
     13      12.2806      0.00000
     14      13.1154      0.00000
     15      13.8740      0.00000
     16      14.3143      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5020      0.00000
     16      12.7931      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5011      0.00000
     16      12.7614      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0653      1.00000
      2      -9.1273      1.00000
      3      -7.7665      1.00000
      4      -5.9250      1.00000
      5      -3.4605      1.00000
      6      -0.7471      1.00000
      7       2.4848      1.00001
      8       5.3385     -0.00000
      9       6.0956     -0.00000
     10       8.4760     -0.00000
     11       8.6244      0.00000
     12       9.7223      0.00000
     13      10.2923      0.00000
     14      11.3886      0.00000
     15      12.5014      0.00000
     16      12.7768      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03124
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.5975      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03124
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.6054      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0225      1.00000
      2      -8.0806      1.00000
      3      -6.7144      1.00000
      4      -4.8663      1.00000
      5      -2.3892      1.00000
      6       0.2898      1.00000
      7       3.4381     -0.03124
      8       5.6412     -0.00000
      9       6.5364     -0.00000
     10       6.8861     -0.00000
     11       7.0420     -0.00000
     12       8.0753     -0.00000
     13       9.3957      0.00000
     14       9.5743      0.00000
     15       9.8031      0.00000
     16      11.6003      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5122      0.00000
     16      10.8202      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5124      0.00000
     16      10.8218      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5603      1.00000
      2      -6.6122      1.00000
      3      -5.2392      1.00000
      4      -3.3877      1.00000
      5      -0.9241      1.00000
      6       1.5779      1.00000
      7       2.5373      1.00006
      8       3.5479     -0.00912
      9       4.8151     -0.00000
     10       5.1521     -0.00000
     11       6.5090     -0.00000
     12       7.6447     -0.00000
     13       8.2053     -0.00000
     14       8.7204      0.00000
     15      10.5123      0.00000
     16      10.8215      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.3938      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.3964      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6748      1.00000
      2      -4.7195      1.00000
      3      -3.3456      1.00000
      4      -1.5341      1.00000
      5      -0.6806      1.00000
      6       0.1399      1.00000
      7       1.1249      1.00000
      8       2.0284      1.00000
      9       3.6382     -0.00171
     10       3.7418     -0.00014
     11       5.9414     -0.00000
     12       6.7270     -0.00000
     13       8.2376     -0.00000
     14       9.1898      0.00000
     15       9.7439      0.00000
     16      10.3963      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5347      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5346      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3751      1.00000
      2      -3.3581      1.00000
      3      -2.4173      1.00000
      4      -2.4153      1.00000
      5      -1.2815      1.00000
      6      -0.8922      1.00000
      7       0.6248      1.00000
      8       1.3685      1.00000
      9       3.3930     -0.03521
     10       3.5370     -0.01067
     11       5.6738     -0.00000
     12       6.0211     -0.00000
     13       8.4262     -0.00000
     14       8.8727      0.00000
     15      10.2242      0.00000
     16      10.5345      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6315      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6274      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2738      1.00000
      2      -9.3365      1.00000
      3      -7.9768      1.00000
      4      -6.1368      1.00000
      5      -3.6758      1.00000
      6      -0.9564      1.00000
      7       2.2793      1.00000
      8       5.1657     -0.00000
      9       5.9245     -0.00000
     10       8.4178     -0.00000
     11       8.4597     -0.00000
     12      11.4169      0.00000
     13      11.4330      0.00000
     14      11.8991      0.00000
     15      12.0407      0.00000
     16      12.6812      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4398      1.00000
      2      -8.4995      1.00000
      3      -7.1355      1.00000
      4      -5.2897      1.00000
      5      -2.8165      1.00000
      6      -0.1219      1.00000
      7       3.0826      0.78590
      8       5.8187     -0.00000
      9       6.5927     -0.00000
     10       7.8475     -0.00000
     11       8.6103     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8482      0.00000
     15      10.1756      0.00000
     16      10.7363      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0425      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0493      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0445      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0449      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6175      0.00000
     16      10.2315      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1875      1.00000
      2      -7.2421      1.00000
      3      -5.8718      1.00000
      4      -4.0202      1.00000
      5      -1.5423      1.00000
      6       1.0953      1.00000
      7       3.8146     -0.00002
      8       4.6897     -0.00000
      9       5.4289     -0.00000
     10       6.5178     -0.00000
     11       7.0808     -0.00000
     12       7.6889     -0.00000
     13       8.1697     -0.00000
     14       8.8868      0.00000
     15       9.6174      0.00000
     16      10.0506      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0967      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99239
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9799     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0967      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99238
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5140      1.00000
      2      -5.5615      1.00000
      3      -4.1857      1.00000
      4      -2.3414      1.00000
      5       0.0251      1.00000
      6       0.9919      1.00000
      7       1.9951      1.00000
      8       2.9941      0.99239
      9       3.5326     -0.01146
     10       5.1817     -0.00000
     11       5.9200     -0.00000
     12       7.3336     -0.00000
     13       7.9800     -0.00000
     14       8.6444      0.00000
     15       9.0966      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7037      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7040      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7040      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7037      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7037      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4160      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9050      1.00000
      5      -1.0204      1.00000
      6      -0.3647      1.00000
      7       0.6473      1.00000
      8       2.2849      1.00000
      9       2.6647      1.00142
     10       4.7459     -0.00000
     11       4.9029     -0.00000
     12       7.0260     -0.00000
     13       7.4942     -0.00000
     14       8.0223     -0.00000
     15       8.8651      0.00000
     16       9.7048      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0458      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0416      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3965      1.00000
      2      -7.4520      1.00000
      3      -6.0826      1.00000
      4      -4.2315      1.00000
      5      -1.7519      1.00000
      6       0.9037      1.00000
      7       3.9754     -0.00000
      8       6.0137     -0.00000
      9       6.4888     -0.00000
     10       7.2360     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5960     -0.00000
     14       8.3886     -0.00000
     15       8.7495      0.00000
     16      10.0445      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62304
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62304
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62305
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62304
      8       4.1221     -0.00000
      9       5.0885     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9334      1.00000
      2      -5.9826      1.00000
      3      -4.6073      1.00000
      4      -2.7563      1.00000
      5      -0.3044      1.00000
      6       2.1626      1.00000
      7       3.1260      0.62304
      8       4.1221     -0.00000
      9       5.0884     -0.00000
     10       5.3674     -0.00000
     11       5.9190     -0.00000
     12       6.4978     -0.00000
     13       7.0115     -0.00000
     14       7.7634     -0.00000
     15       8.4074     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6356     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8468      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8262      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6356     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8422      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6356     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8520      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6356     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8460      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0471      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9162      1.00000
      5      -0.0642      1.00000
      6       0.7418      1.00000
      7       1.7151      1.00000
      8       2.5996      1.00030
      9       4.0696     -0.00000
     10       4.2596     -0.00000
     11       4.8597     -0.00000
     12       5.7464     -0.00000
     13       6.6355     -0.00000
     14       7.4079     -0.00000
     15       7.5420     -0.00000
     16       8.8720      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6662      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6662      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7495      1.00000
      2      -2.7321      1.00000
      3      -1.8036      1.00000
      4      -1.7833      1.00000
      5      -0.6674      1.00000
      6      -0.2795      1.00000
      7       1.2249      1.00000
      8       1.9611      1.00000
      9       3.7850     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7690     -0.00000
     13       6.3928     -0.00000
     14       6.7622     -0.00000
     15       7.1344     -0.00000
     16       8.6668      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6866      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6857      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2575      1.00000
      2      -4.3014      1.00000
      3      -2.9254      1.00000
      4      -1.0991      1.00000
      5       1.1584      1.00000
      6       2.0912      1.00000
      7       2.2549      1.00000
      8       2.9990      0.98623
      9       3.4668     -0.02527
     10       4.2377     -0.00000
     11       4.4924     -0.00000
     12       4.8621     -0.00000
     13       6.1976     -0.00000
     14       6.8411     -0.00000
     15       7.2676     -0.00000
     16       8.6866      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2351     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2368     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2362     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2401     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2364     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1601      1.00000
      2      -2.2072      1.00000
      3      -0.8660      1.00000
      4      -0.6587      1.00000
      5       0.2023      1.00000
      6       0.8174      1.00000
      7       1.7477      1.00000
      8       1.8323      1.00000
      9       2.5768      1.00016
     10       3.1775      0.41011
     11       4.1362     -0.00000
     12       4.6649     -0.00000
     13       6.0505     -0.00000
     14       6.1470     -0.00000
     15       6.3673     -0.00000
     16       8.2385     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8801      1.00000
      2      -0.8772      1.00000
      3      -0.8499      1.00000
      4      -0.0108      1.00000
      5       0.0850      1.00000
      6       0.0892      1.00000
      7       1.1032      1.00000
      8       1.1079      1.00000
      9       1.7986      1.00000
     10       2.6661      1.00144
     11       4.0826     -0.00000
     12       4.0833     -0.00000
     13       5.9900     -0.00000
     14       5.9954     -0.00000
     15       6.0779     -0.00000
     16       8.0156     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.953 -61.930  -0.000  -0.150  -0.000   0.000  -0.011   0.000
-61.930  33.077   0.000   0.071   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.067   0.000  -0.000  -0.321   0.000   0.000
 -0.150   0.071   0.000   1.701   0.000   0.000  -0.261  -0.000
 -0.000   0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.1075: real time    425.1547
    FORNL :  cpu time      0.4959: real time      0.5019
    FORCOR:  cpu time      1.9625: real time      1.9743
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.957E-07 -.531E-06 0.182E+03   0.378E-13 0.288E-13 -.181E+03   -.139E-06 0.214E-06 -.107E+01
   0.524E-06 -.138E-05 0.924E+02   0.770E-14 0.592E-15 -.924E+02   -.103E-05 0.164E-05 -.713E-01
   0.793E-06 -.242E-05 -.178E+00   -.150E-12 -.886E-13 0.171E+00   -.685E-07 0.346E-05 0.863E-02
   -.627E-06 -.763E-06 -.926E+02   0.142E-12 0.865E-13 0.925E+02   0.226E-06 0.898E-06 0.865E-01
   0.374E-05 0.226E-05 -.182E+03   -.465E-13 -.242E-13 0.181E+03   -.347E-05 -.230E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.549E-05 -.253E-05 0.122E-01   -.971E-14 0.313E-14 0.000E+00   -.449E-05 0.391E-05 -.357E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.030229
      0.00000      0.00000      2.36583        -0.000001     -0.000000      0.001207
      1.42873      0.82488      4.67681         0.000001      0.000001      0.006035
      2.85746      1.64976      6.99058         0.000000      0.000000      0.011297
      0.00000      0.00000      9.36570        -0.000000     -0.000000      0.011690
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000002     -0.025796


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90404628 eV

  energy  without entropy=      -13.89704648  energy(sigma->0) =      -13.90171302
 
 d Force = 0.1296181E-04[ 0.123E-04, 0.136E-04]  d Energy = 0.1313581E-04-0.174E-06
 d Force = 0.1170978E+00[ 0.117E+00, 0.117E+00]  d Ewald  = 0.1170978E+00-0.887E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9619: real time      1.9740


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.146E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.5991
 eigenvalue spectrum of G is  1.5991


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0535
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0847
    POTLOK:  cpu time      1.9627: real time      1.9750
    EDDIAG:  cpu time    580.6480: real time    585.5813
    CHARGE:  cpu time      0.2622: real time      0.2644
 writing wavefunctions
     LOOP+:  cpu time   2772.2321: real time   2795.4406


--------------------------------------- Iteration     29(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7290
    SETDIJ:  cpu time      1.2439: real time      1.2497
    TRIAL :  cpu time    589.2669: real time    594.2991
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2625: real time      0.2647
    --------------------------------------------
      LOOP:  cpu time    591.5105: real time    596.5577

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3822305E-04  (-0.1142670E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009171 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.32646187
  -exchange      EXHF   =        33.26742478
  -V(xc)+E(xc)   XCENC  =       -83.54854200
  PAW double counting   =    100969.72473474  -100868.76624612
  entropy T*S    EENTRO =        -0.00696134
  eigenvalues    EBANDS =       -35.01292133
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90400438 eV

  energy without entropy =      -13.89704304  energy(sigma->0) =      -13.90168393
  exchange ACFDT corr.  =        -0.00633657  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     29(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7273
    SETDIJ:  cpu time      1.2390: real time      1.2444
    TRIAL :  cpu time    588.2203: real time    593.2691
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2623: real time      0.2645
    --------------------------------------------
      LOOP:  cpu time    590.4480: real time    595.5103

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2929888E-04  (-0.4395571E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009173 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.09407173
  -exchange      EXHF   =        33.26664076
  -V(xc)+E(xc)   XCENC  =       -83.54882913
  PAW double counting   =    100966.89690043  -100865.93841262
  entropy T*S    EENTRO =        -0.00695628
  eigenvalues    EBANDS =       -35.24428258
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90403368 eV

  energy without entropy =      -13.89707740  energy(sigma->0) =      -13.90171492
  exchange ACFDT corr.  =        -0.00632138  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     29(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7272
    SETDIJ:  cpu time      1.2419: real time      1.2474
    TRIAL :  cpu time    588.9238: real time    593.9577
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    591.1567: real time    596.2043

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1815286E-04  (-0.2514468E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009174 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.02510715
  -exchange      EXHF   =        33.26627128
  -V(xc)+E(xc)   XCENC  =       -83.54896255
  PAW double counting   =    100966.86488313  -100865.90641253
  entropy T*S    EENTRO =        -0.00695996
  eigenvalues    EBANDS =       -35.31275027
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90405183 eV

  energy without entropy =      -13.89709187  energy(sigma->0) =      -13.90173184
  exchange ACFDT corr.  =        -0.00631496  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     29(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7272
    SETDIJ:  cpu time      1.2412: real time      1.2470
    TRIAL :  cpu time    587.7278: real time    592.7621
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2624: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time    589.9574: real time    595.0062

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1505263E-04  (-0.1229268E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009173 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.11896601
  -exchange      EXHF   =        33.26639464
  -V(xc)+E(xc)   XCENC  =       -83.54891635
  PAW double counting   =    100969.73205361  -100868.77357630
  entropy T*S    EENTRO =        -0.00696066
  eigenvalues    EBANDS =       -35.21907904
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406688 eV

  energy without entropy =      -13.89710622  energy(sigma->0) =      -13.90174666
  exchange ACFDT corr.  =        -0.00631774  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     29(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2422: real time      1.2480
    TRIAL :  cpu time    589.8735: real time    594.9372
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2633: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time    592.1056: real time    597.1835

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2041837E-05  (-0.1035066E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009166 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.17184499
  -exchange      EXHF   =        33.26649966
  -V(xc)+E(xc)   XCENC  =       -83.54887681
  PAW double counting   =    100972.70187914  -100871.74341158
  entropy T*S    EENTRO =        -0.00695612
  eigenvalues    EBANDS =       -35.16633620
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406893 eV

  energy without entropy =      -13.89711281  energy(sigma->0) =      -13.90175022
  exchange ACFDT corr.  =        -0.00631821  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     29(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7278
    SETDIJ:  cpu time      1.2400: real time      1.2454
    TRIAL :  cpu time    588.5610: real time    593.6090
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    581.5499: real time    586.4827
    CHARGE:  cpu time      0.2642: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time   1172.3415: real time   1182.3362

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6062997E-05  (-0.2150714E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009155 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.18359828
  -Hartree energ DENC   =      -702.13511497
  -exchange      EXHF   =        33.26634607
  -V(xc)+E(xc)   XCENC  =       -83.54890639
  PAW double counting   =    100974.99581432  -100874.03734615
  entropy T*S    EENTRO =        -0.00695188
  eigenvalues    EBANDS =       -35.20296244
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90407499 eV

  energy without entropy =      -13.89712311  energy(sigma->0) =      -13.90175770
  exchange ACFDT corr.  =        -0.00631370  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9475


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8977       2 -69.7706       3 -69.7615       4 -69.7717       5 -69.8982
 
 
 
 E-fermi :   3.1558     XC(G=0):  -5.1206     alpha+bet : -8.9779

 Fermi energy:         3.1557694407

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8965      1.00000
      2      -9.9640      1.00000
      3      -8.6075      1.00000
      4      -6.7720      1.00000
      5      -4.3236      1.00000
      6      -1.5862      1.00000
      7       1.6444      1.00000
      8       4.6225     -0.00000
      9       5.4029     -0.00000
     10       7.9251     -0.00000
     11       7.9855     -0.00000
     12      11.8871      0.00000
     13      12.1858      0.00000
     14      16.0532      0.00000
     15      16.0592      0.00000
     16      16.0676      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3171      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3181      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3170      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5007      0.00000
     16      12.7616      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5008      0.00000
     16      12.7698      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5012      0.00000
     16      12.8050      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.5966      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.5989      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.6069      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5120      0.00000
     16      10.8203      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5120      0.00000
     16      10.8194      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5120      0.00000
     16      10.8195      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.4108      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.3945      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.3958      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5347      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5347      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5347      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8991      0.00000
     15      12.0402      0.00000
     16      12.6325      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8992      0.00000
     15      12.0402      0.00000
     16      12.6292      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8992      0.00000
     15      12.0402      0.00000
     16      12.6330      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0465      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0409      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.1456      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.1245      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0426      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6176      0.00000
     16      10.0531      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7035      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7046      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7035      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7033      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7033      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7035      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0407      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0512      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0459      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61921
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8339      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8416      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8309      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8684      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8588      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8708      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6701      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6685      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6682      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6850      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6879      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6886      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2338     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2374     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2352     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2353     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2349     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.3338     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8770      1.00000
      2      -0.8745      1.00000
      3      -0.8472      1.00000
      4      -0.0100      1.00000
      5       0.0850      1.00000
      6       0.0887      1.00000
      7       1.1039      1.00000
      8       1.1079      1.00000
      9       1.7981      1.00000
     10       2.6660      1.00146
     11       4.0823     -0.00000
     12       4.0840     -0.00000
     13       5.9891     -0.00000
     14       5.9951     -0.00000
     15       6.0778     -0.00000
     16       8.0149     -0.00000
 Fermi energy:         3.1557694407

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8965      1.00000
      2      -9.9640      1.00000
      3      -8.6075      1.00000
      4      -6.7720      1.00000
      5      -4.3236      1.00000
      6      -1.5862      1.00000
      7       1.6444      1.00000
      8       4.6225     -0.00000
      9       5.4029     -0.00000
     10       7.9251     -0.00000
     11       7.9855     -0.00000
     12      11.8871      0.00000
     13      12.1858      0.00000
     14      16.0557      0.00000
     15      16.0618      0.00000
     16      16.1132      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3169      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3169      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6880      1.00000
      2      -9.7549      1.00000
      3      -8.3973      1.00000
      4      -6.5602      1.00000
      5      -4.1077      1.00000
      6      -1.3762      1.00000
      7       1.8578      1.00000
      8       4.8055     -0.00000
      9       5.5772     -0.00000
     10       8.0930     -0.00000
     11       8.1506     -0.00000
     12      12.0162      0.00000
     13      12.2802      0.00000
     14      13.1178      0.00000
     15      13.8740      0.00000
     16      14.3170      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5015      0.00000
     16      12.7913      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5007      0.00000
     16      12.7615      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0627      1.00000
      2      -9.1274      1.00000
      3      -7.7667      1.00000
      4      -5.9249      1.00000
      5      -3.4612      1.00000
      6      -0.7473      1.00000
      7       2.4831      1.00001
      8       5.3377     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6239      0.00000
     12       9.7245      0.00000
     13      10.2924      0.00000
     14      11.3883      0.00000
     15      12.5009      0.00000
     16      12.7757      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.5973      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.6050      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0199      1.00000
      2      -8.0807      1.00000
      3      -6.7146      1.00000
      4      -4.8661      1.00000
      5      -2.3899      1.00000
      6       0.2897      1.00000
      7       3.4368     -0.03153
      8       5.6424     -0.00000
      9       6.5366     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0752     -0.00000
     13       9.3955      0.00000
     14       9.5742      0.00000
     15       9.8027      0.00000
     16      11.6001      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5120      0.00000
     16      10.8196      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5121      0.00000
     16      10.8211      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5577      1.00000
      2      -6.6122      1.00000
      3      -5.2393      1.00000
      4      -3.3875      1.00000
      5      -0.9247      1.00000
      6       1.5783      1.00000
      7       2.5394      1.00006
      8       3.5478     -0.00907
      9       4.8147     -0.00000
     10       5.1514     -0.00000
     11       6.5093     -0.00000
     12       7.6440     -0.00000
     13       8.2048     -0.00000
     14       8.7200      0.00000
     15      10.5121      0.00000
     16      10.8207      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.3962      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.3984      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6721      1.00000
      2      -4.7195      1.00000
      3      -3.3457      1.00000
      4      -1.5338      1.00000
      5      -0.6777      1.00000
      6       0.1398      1.00000
      7       1.1244      1.00000
      8       2.0282      1.00000
      9       3.6382     -0.00170
     10       3.7421     -0.00014
     11       5.9410     -0.00000
     12       6.7259     -0.00000
     13       8.2375     -0.00000
     14       9.1892      0.00000
     15       9.7435      0.00000
     16      10.3983      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5348      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5347      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3723      1.00000
      2      -3.3553      1.00000
      3      -2.4176      1.00000
      4      -2.4150      1.00000
      5      -1.2814      1.00000
      6      -0.8924      1.00000
      7       0.6249      1.00000
      8       1.3688      1.00000
      9       3.3923     -0.03518
     10       3.5367     -0.01077
     11       5.6738     -0.00000
     12       6.0209     -0.00000
     13       8.4252     -0.00000
     14       8.8721      0.00000
     15      10.2269      0.00000
     16      10.5347      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8992      0.00000
     15      12.0402      0.00000
     16      12.6303      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8992      0.00000
     15      12.0402      0.00000
     16      12.6266      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2712      1.00000
      2      -9.3366      1.00000
      3      -7.9770      1.00000
      4      -6.1367      1.00000
      5      -3.6765      1.00000
      6      -0.9566      1.00000
      7       2.2776      1.00000
      8       5.1649     -0.00000
      9       5.9239     -0.00000
     10       8.4176     -0.00000
     11       8.4589     -0.00000
     12      11.4197      0.00000
     13      11.4354      0.00000
     14      11.8991      0.00000
     15      12.0404      0.00000
     16      12.6793      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4372      1.00000
      2      -8.4996      1.00000
      3      -7.1356      1.00000
      4      -5.2896      1.00000
      5      -2.8171      1.00000
      6      -0.1221      1.00000
      7       3.0811      0.79164
      8       5.8180     -0.00000
      9       6.5923     -0.00000
     10       7.8496     -0.00000
     11       8.6104     -0.00000
     12       8.9980      0.00000
     13       9.4163      0.00000
     14       9.8479      0.00000
     15      10.1776      0.00000
     16      10.7365      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0418      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0478      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0436      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0440      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.2265      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1849      1.00000
      2      -7.2422      1.00000
      3      -5.8719      1.00000
      4      -4.0200      1.00000
      5      -1.5429      1.00000
      6       1.0952      1.00000
      7       3.8154     -0.00002
      8       4.6903     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0801     -0.00000
     12       7.6884     -0.00000
     13       8.1700     -0.00000
     14       8.8890      0.00000
     15       9.6175      0.00000
     16      10.0486      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5113      1.00000
      2      -5.5615      1.00000
      3      -4.1858      1.00000
      4      -2.3411      1.00000
      5       0.0249      1.00000
      6       0.9944      1.00000
      7       1.9950      1.00000
      8       2.9938      0.99237
      9       3.5326     -0.01142
     10       5.1821     -0.00000
     11       5.9191     -0.00000
     12       7.3336     -0.00000
     13       7.9808     -0.00000
     14       8.6445      0.00000
     15       9.0963      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7033      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7035      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7035      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7033      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7033      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4132      1.00000
      2      -3.4597      1.00000
      3      -2.1026      1.00000
      4      -1.9022      1.00000
      5      -1.0201      1.00000
      6      -0.3645      1.00000
      7       0.6472      1.00000
      8       2.2846      1.00000
      9       2.6648      1.00141
     10       4.7457     -0.00000
     11       4.9027     -0.00000
     12       7.0264     -0.00000
     13       7.4945     -0.00000
     14       8.0227     -0.00000
     15       8.8650      0.00000
     16       9.7042      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0452      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0412      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3939      1.00000
      2      -7.4521      1.00000
      3      -6.0828      1.00000
      4      -4.2313      1.00000
      5      -1.7525      1.00000
      6       0.9036      1.00000
      7       3.9744     -0.00000
      8       6.0151     -0.00000
      9       6.4907     -0.00000
     10       7.2365     -0.00000
     11       7.3136     -0.00000
     12       7.5150     -0.00000
     13       7.5956     -0.00000
     14       8.3883     -0.00000
     15       8.7496      0.00000
     16      10.0440      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9307      1.00000
      2      -5.9827      1.00000
      3      -4.6074      1.00000
      4      -2.7560      1.00000
      5      -0.3048      1.00000
      6       2.1630      1.00000
      7       3.1282      0.61920
      8       4.1221     -0.00000
      9       5.0897     -0.00000
     10       5.3675     -0.00000
     11       5.9193     -0.00000
     12       6.4976     -0.00000
     13       7.0117     -0.00000
     14       7.7635     -0.00000
     15       8.4066     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8465      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8266      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8419      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8516      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8458      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0443      1.00000
      2      -4.0905      1.00000
      3      -2.7174      1.00000
      4      -0.9159      1.00000
      5      -0.0613      1.00000
      6       0.7418      1.00000
      7       1.7146      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2604     -0.00000
     11       4.8617     -0.00000
     12       5.7462     -0.00000
     13       6.6348     -0.00000
     14       7.4077     -0.00000
     15       7.5413     -0.00000
     16       8.8716      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6666      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6665      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7467      1.00000
      2      -2.7293      1.00000
      3      -1.8032      1.00000
      4      -1.7836      1.00000
      5      -0.6673      1.00000
      6      -0.2797      1.00000
      7       1.2251      1.00000
      8       1.9614      1.00000
      9       3.7846     -0.00004
     10       3.9035     -0.00000
     11       4.7217     -0.00000
     12       5.7687     -0.00000
     13       6.3925     -0.00000
     14       6.7622     -0.00000
     15       7.1345     -0.00000
     16       8.6670      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6859      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6851      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2548      1.00000
      2      -4.3014      1.00000
      3      -2.9255      1.00000
      4      -1.0987      1.00000
      5       1.1584      1.00000
      6       2.0940      1.00000
      7       2.2571      1.00000
      8       2.9995      0.98545
      9       3.4663     -0.02520
     10       4.2375     -0.00000
     11       4.4926     -0.00000
     12       4.8621     -0.00000
     13       6.1977     -0.00000
     14       6.8415     -0.00000
     15       7.2666     -0.00000
     16       8.6858      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2348     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2363     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2358     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2395     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2360     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1573      1.00000
      2      -2.2072      1.00000
      3      -0.8659      1.00000
      4      -0.6561      1.00000
      5       0.2026      1.00000
      6       0.8176      1.00000
      7       1.7501      1.00000
      8       1.8328      1.00000
      9       2.5767      1.00017
     10       3.1775      0.40867
     11       4.1361     -0.00000
     12       4.6646     -0.00000
     13       6.0501     -0.00000
     14       6.1473     -0.00000
     15       6.3672     -0.00000
     16       8.2379     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8770      1.00000
      2      -0.8745      1.00000
      3      -0.8472      1.00000
      4      -0.0100      1.00000
      5       0.0850      1.00000
      6       0.0887      1.00000
      7       1.1039      1.00000
      8       1.1079      1.00000
      9       1.7981      1.00000
     10       2.6660      1.00146
     11       4.0823     -0.00000
     12       4.0840     -0.00000
     13       5.9891     -0.00000
     14       5.9951     -0.00000
     15       6.0778     -0.00000
     16       8.0153     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.950 -61.929  -0.000  -0.149  -0.000   0.000  -0.011   0.000
-61.929  33.076   0.000   0.071   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.067   0.000  -0.000  -0.321  -0.000   0.000
 -0.149   0.071   0.000   1.701   0.000  -0.000  -0.261  -0.000
 -0.000   0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
  0.000  -0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.0723: real time    427.1502
    FORNL :  cpu time      0.4980: real time      0.5040
    FORCOR:  cpu time      1.9511: real time      1.9629
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.153E-05 0.587E-06 0.182E+03   0.417E-13 0.246E-13 -.181E+03   -.195E-05 -.861E-06 -.107E+01
   -.753E-06 -.488E-06 0.924E+02   0.548E-14 0.636E-14 -.923E+02   0.363E-06 0.535E-06 -.667E-01
   0.107E-05 0.237E-05 -.175E+00   -.148E-12 -.835E-13 0.171E+00   -.103E-05 -.220E-05 0.141E-01
   0.463E-07 0.119E-05 -.926E+02   0.134E-12 0.784E-13 0.925E+02   -.308E-06 -.267E-05 0.937E-01
   -.225E-05 -.487E-06 -.182E+03   -.427E-13 -.227E-13 0.181E+03   0.215E-05 0.804E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.704E-06 0.402E-05 0.926E-02   -.971E-14 0.313E-14 0.000E+00   -.777E-06 -.439E-05 -.550E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.038551
      0.00000      0.00000      2.36593        -0.000001     -0.000000     -0.001675
      1.42873      0.82488      4.67723        -0.000000      0.000000      0.009194
      2.85746      1.64976      6.99136         0.000001     -0.000001      0.015843
      0.00000      0.00000      9.36652         0.000000      0.000001      0.015189
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000      0.003120


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90407499 eV

  energy  without entropy=      -13.89712311  energy(sigma->0) =      -13.90175770
 
 d Force = 0.2473123E-04[ 0.285E-04, 0.210E-04]  d Energy = 0.2870716E-04-0.398E-05
 d Force = 0.2107562E+00[ 0.211E+00, 0.211E+00]  d Ewald  = 0.2107562E+00-0.441E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9574: real time      1.9695


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.275E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.2593
 eigenvalue spectrum of G is  1.9014  2.6172


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0059: real time      0.0522
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9628: real time      1.9749
    EDDIAG:  cpu time    582.5700: real time    587.5252
    CHARGE:  cpu time      0.2619: real time      0.2644
 writing wavefunctions
     LOOP+:  cpu time   5141.8233: real time   5185.3950


--------------------------------------- Iteration     30(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2398: real time      1.2455
    TRIAL :  cpu time    583.8696: real time    588.8486
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2627: real time      0.2648
    --------------------------------------------
      LOOP:  cpu time    586.1084: real time    591.1025

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3968240E-03  (-0.9723412E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009091 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.94180721
  -exchange      EXHF   =        33.26930924
  -V(xc)+E(xc)   XCENC  =       -83.54789861
  PAW double counting   =    100991.58158750  -100890.62331855
  entropy T*S    EENTRO =        -0.00701230
  eigenvalues    EBANDS =       -34.91132628
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367210 eV

  energy without entropy =      -13.89665980  energy(sigma->0) =      -13.90133467
  exchange ACFDT corr.  =        -0.00638953  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7206: real time      0.7271
    SETDIJ:  cpu time      1.2387: real time      1.2441
    TRIAL :  cpu time    587.2268: real time    592.2542
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2632: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    589.4538: real time    594.4954

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3104606E-04  (-0.6229026E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009064 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.54072527
  -exchange      EXHF   =        33.26832913
  -V(xc)+E(xc)   XCENC  =       -83.54827350
  PAW double counting   =    100988.56041933  -100887.60213147
  entropy T*S    EENTRO =        -0.00700942
  eigenvalues    EBANDS =       -35.31112136
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370315 eV

  energy without entropy =      -13.89669373  energy(sigma->0) =      -13.90136668
  exchange ACFDT corr.  =        -0.00636955  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2411: real time      1.2470
    TRIAL :  cpu time    586.2958: real time    591.2879
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2668
    --------------------------------------------
      LOOP:  cpu time    588.5278: real time    593.5345

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2374143E-03  (-0.6363586E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009046 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.44848990
  -exchange      EXHF   =        33.26822447
  -V(xc)+E(xc)   XCENC  =       -83.54833495
  PAW double counting   =    100989.81465355  -100888.85633358
  entropy T*S    EENTRO =        -0.00702203
  eigenvalues    EBANDS =       -35.40346304
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90394056 eV

  energy without entropy =      -13.89691853  energy(sigma->0) =      -13.90159988
  exchange ACFDT corr.  =        -0.00636767  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7279
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    589.0259: real time    594.0160
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2624: real time      0.2647
    --------------------------------------------
      LOOP:  cpu time    591.2457: real time    596.2498

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3009042E-04  (-0.1372943E-03)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009026 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.63475655
  -exchange      EXHF   =        33.26883003
  -V(xc)+E(xc)   XCENC  =       -83.54813498
  PAW double counting   =    100994.24159189  -100893.28327996
  entropy T*S    EENTRO =        -0.00703036
  eigenvalues    EBANDS =       -35.21801135
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90397065 eV

  energy without entropy =      -13.89694029  energy(sigma->0) =      -13.90162720
  exchange ACFDT corr.  =        -0.00639419  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7208: real time      0.7268
    SETDIJ:  cpu time      1.2389: real time      1.2444
    TRIAL :  cpu time    587.3142: real time    592.3458
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2633: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time    589.5418: real time    594.5870

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1418608E-05  (-0.9224525E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009004 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.73178863
  -exchange      EXHF   =        33.26915749
  -V(xc)+E(xc)   XCENC  =       -83.54802832
  PAW double counting   =    100997.40829981  -100896.45001676
  entropy T*S    EENTRO =        -0.00702964
  eigenvalues    EBANDS =       -35.12137761
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90397207 eV

  energy without entropy =      -13.89694243  energy(sigma->0) =      -13.90162886
  exchange ACFDT corr.  =        -0.00639121  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2394: real time      1.2448
    TRIAL :  cpu time    587.4116: real time    592.4882
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2624: real time      0.2645
    --------------------------------------------
      LOOP:  cpu time    589.6389: real time    594.7292

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4297742E-04  (-0.3264564E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008983 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.66282101
  -exchange      EXHF   =        33.26900972
  -V(xc)+E(xc)   XCENC  =       -83.54808600
  PAW double counting   =    100998.35409890  -100897.39580573
  entropy T*S    EENTRO =        -0.00702867
  eigenvalues    EBANDS =       -35.19019359
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401505 eV

  energy without entropy =      -13.89698638  energy(sigma->0) =      -13.90167216
  exchange ACFDT corr.  =        -0.00639062  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7276
    SETDIJ:  cpu time      1.2393: real time      1.2448
    TRIAL :  cpu time    587.5351: real time    592.5605
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2644: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    589.7646: real time    594.8045

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2757733E-05  (-0.2324080E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008964 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.59387826
  -exchange      EXHF   =        33.26884447
  -V(xc)+E(xc)   XCENC  =       -83.54814562
  PAW double counting   =    100999.14222647  -100898.18392164
  entropy T*S    EENTRO =        -0.00703207
  eigenvalues    EBANDS =       -35.25892134
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401229 eV

  energy without entropy =      -13.89698022  energy(sigma->0) =      -13.90166827
  exchange ACFDT corr.  =        -0.00638971  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2386: real time      1.2443
    TRIAL :  cpu time    588.4140: real time    593.4675
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2630: real time      0.2652
    --------------------------------------------
      LOOP:  cpu time    590.6422: real time    595.7095

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3643712E-05  (-0.1198547E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008948 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.61160428
  -exchange      EXHF   =        33.26890915
  -V(xc)+E(xc)   XCENC  =       -83.54811852
  PAW double counting   =    101000.96734018  -100900.00903025
  entropy T*S    EENTRO =        -0.00703631
  eigenvalues    EBANDS =       -35.24129245
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401593 eV

  energy without entropy =      -13.89697962  energy(sigma->0) =      -13.90167050
  exchange ACFDT corr.  =        -0.00639348  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     30(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2350: real time      1.2408
    TRIAL :  cpu time    588.8435: real time    593.9142
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    581.3549: real time    586.3154
    CHARGE:  cpu time      0.2637: real time      0.2659
    --------------------------------------------
      LOOP:  cpu time   1172.4232: real time   1182.4686

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5525348E-05  (-0.5883703E-06)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008934 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.69542805
  -Hartree energ DENC   =      -702.65278120
  -exchange      EXHF   =        33.26905232
  -V(xc)+E(xc)   XCENC  =       -83.54806920
  PAW double counting   =    101003.06809230  -100902.10977602
  entropy T*S    EENTRO =        -0.00703827
  eigenvalues    EBANDS =       -35.20029919
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402146 eV

  energy without entropy =      -13.89698319  energy(sigma->0) =      -13.90167537
  exchange ACFDT corr.  =        -0.00639824  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8719


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8945       2 -69.7669       3 -69.7596       4 -69.7727       5 -69.9008
 
 
 
 E-fermi :   3.1552     XC(G=0):  -5.1201     alpha+bet : -8.9779

 Fermi energy:         3.1551974437

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8978      1.00000
      2      -9.9634      1.00000
      3      -8.6069      1.00000
      4      -6.7721      1.00000
      5      -4.3213      1.00000
      6      -1.5850      1.00000
      7       1.6482      1.00000
      8       4.6240     -0.00000
      9       5.4028     -0.00000
     10       7.9249     -0.00000
     11       7.9867     -0.00000
     12      11.8873      0.00000
     13      12.1867      0.00000
     14      16.0517      0.00000
     15      16.0574      0.00000
     16      16.0656      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3157      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3164      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3156      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5012      0.00000
     16      12.7614      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5013      0.00000
     16      12.7692      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5016      0.00000
     16      12.8027      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.5981      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.6001      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.6074      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5122      0.00000
     16      10.8206      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5122      0.00000
     16      10.8197      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5122      0.00000
     16      10.8198      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.4055      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.3930      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.3941      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4181      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0410      0.00000
     16      12.6321      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4181      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0410      0.00000
     16      12.6292      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4182      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0410      0.00000
     16      12.6323      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0467      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0424      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.1284      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.1092      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0439      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0526      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7046      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7057      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7046      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7045      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7044      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7046      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9771     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0409      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9771     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0508      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9771     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0455      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8342      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8414      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8307      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8692      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8585      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8711      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6694      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6681      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6679      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6863      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6890      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6897      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2351     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2382     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2362     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2364     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2360     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.3259     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8783      1.00000
      2      -0.8765      1.00000
      3      -0.8491      1.00000
      4      -0.0103      1.00000
      5       0.0860      1.00000
      6       0.0891      1.00000
      7       1.1047      1.00000
      8       1.1080      1.00000
      9       1.7983      1.00000
     10       2.6655      1.00144
     11       4.0812     -0.00000
     12       4.0848     -0.00000
     13       5.9904     -0.00000
     14       5.9969     -0.00000
     15       6.0806     -0.00000
     16       8.0153     -0.00000
 Fermi energy:         3.1551974437

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8978      1.00000
      2      -9.9634      1.00000
      3      -8.6069      1.00000
      4      -6.7721      1.00000
      5      -4.3213      1.00000
      6      -1.5850      1.00000
      7       1.6482      1.00000
      8       4.6240     -0.00000
      9       5.4028     -0.00000
     10       7.9249     -0.00000
     11       7.9867     -0.00000
     12      11.8873      0.00000
     13      12.1867      0.00000
     14      16.0541      0.00000
     15      16.0603      0.00000
     16      16.1048      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3156      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3156      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6893      1.00000
      2      -9.7543      1.00000
      3      -8.3968      1.00000
      4      -6.5603      1.00000
      5      -4.1054      1.00000
      6      -1.3750      1.00000
      7       1.8616      1.00000
      8       4.8070     -0.00000
      9       5.5772     -0.00000
     10       8.0928     -0.00000
     11       8.1518     -0.00000
     12      12.0164      0.00000
     13      12.2809      0.00000
     14      13.1168      0.00000
     15      13.8745      0.00000
     16      14.3156      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5019      0.00000
     16      12.7893      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5012      0.00000
     16      12.7615      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0641      1.00000
      2      -9.1269      1.00000
      3      -7.7662      1.00000
      4      -5.9250      1.00000
      5      -3.4590      1.00000
      6      -0.7463      1.00000
      7       2.4868      1.00001
      8       5.3391     -0.00000
      9       6.0951     -0.00000
     10       8.4759     -0.00000
     11       8.6244      0.00000
     12       9.7237      0.00000
     13      10.2926      0.00000
     14      11.3889      0.00000
     15      12.5014      0.00000
     16      12.7746      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.5988      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.6057      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0801      1.00000
      3      -6.7140      1.00000
      4      -4.8663      1.00000
      5      -2.3877      1.00000
      6       0.2906      1.00000
      7       3.4399     -0.03110
      8       5.6420     -0.00000
      9       6.5367     -0.00000
     10       6.8869     -0.00000
     11       7.0417     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5744      0.00000
     15       9.8034      0.00000
     16      11.6012      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5122      0.00000
     16      10.8200      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5123      0.00000
     16      10.8214      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6117      1.00000
      3      -5.2388      1.00000
      4      -3.3878      1.00000
      5      -0.9226      1.00000
      6       1.5788      1.00000
      7       2.5379      1.00005
      8       3.5483     -0.00906
      9       4.8154     -0.00000
     10       5.1543     -0.00000
     11       6.5090     -0.00000
     12       7.6451     -0.00000
     13       8.2047     -0.00000
     14       8.7219      0.00000
     15      10.5122      0.00000
     16      10.8211      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.3944      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.3961      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6737      1.00000
      2      -4.7190      1.00000
      3      -3.3452      1.00000
      4      -1.5341      1.00000
      5      -0.6795      1.00000
      6       0.1405      1.00000
      7       1.1256      1.00000
      8       2.0291      1.00000
      9       3.6381     -0.00171
     10       3.7428     -0.00014
     11       5.9428     -0.00000
     12       6.7288     -0.00000
     13       8.2384     -0.00000
     14       9.1901      0.00000
     15       9.7433      0.00000
     16      10.3960      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3740      1.00000
      2      -3.3571      1.00000
      3      -2.4169      1.00000
      4      -2.4148      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6245      1.00000
      8       1.3686      1.00000
      9       3.3939     -0.03527
     10       3.5390     -0.01052
     11       5.6742     -0.00000
     12       6.0220     -0.00000
     13       8.4282     -0.00000
     14       8.8741      0.00000
     15      10.2255      0.00000
     16      10.5351      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4182      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0410      0.00000
     16      12.6300      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4182      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0411      0.00000
     16      12.6269      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2725      1.00000
      2      -9.3361      1.00000
      3      -7.9764      1.00000
      4      -6.1368      1.00000
      5      -3.6742      1.00000
      6      -0.9556      1.00000
      7       2.2814      1.00000
      8       5.1663     -0.00000
      9       5.9239     -0.00000
     10       8.4174     -0.00000
     11       8.4600     -0.00000
     12      11.4182      0.00000
     13      11.4340      0.00000
     14      11.8994      0.00000
     15      12.0413      0.00000
     16      12.6773      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78313
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78313
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78314
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78313
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4386      1.00000
      2      -8.4990      1.00000
      3      -7.1351      1.00000
      4      -5.2897      1.00000
      5      -2.8149      1.00000
      6      -0.1211      1.00000
      7       3.0846      0.78313
      8       5.8193     -0.00000
      9       6.5921     -0.00000
     10       7.8481     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4164      0.00000
     14       9.8485      0.00000
     15      10.1768      0.00000
     16      10.7367      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0432      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0475      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0447      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0449      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.2199      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1863      1.00000
      2      -7.2416      1.00000
      3      -5.8714      1.00000
      4      -4.0202      1.00000
      5      -1.5408      1.00000
      6       1.0961      1.00000
      7       3.8159     -0.00002
      8       4.6908     -0.00000
      9       5.4298     -0.00000
     10       6.5185     -0.00000
     11       7.0810     -0.00000
     12       7.6883     -0.00000
     13       8.1697     -0.00000
     14       8.8876      0.00000
     15       9.6182      0.00000
     16      10.0485      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5128      1.00000
      2      -5.5610      1.00000
      3      -4.1853      1.00000
      4      -2.3414      1.00000
      5       0.0266      1.00000
      6       0.9929      1.00000
      7       1.9954      1.00000
      8       2.9946      0.99171
      9       3.5331     -0.01142
     10       5.1818     -0.00000
     11       5.9217     -0.00000
     12       7.3350     -0.00000
     13       7.9808     -0.00000
     14       8.6449      0.00000
     15       9.0963      0.00000
     16       9.1420      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7044      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7047      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7047      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7045      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7044      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4149      1.00000
      2      -3.4592      1.00000
      3      -2.1022      1.00000
      4      -1.9040      1.00000
      5      -1.0199      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2852      1.00000
      9       2.6658      1.00142
     10       4.7474     -0.00000
     11       4.9035     -0.00000
     12       7.0268     -0.00000
     13       7.4953     -0.00000
     14       8.0233     -0.00000
     15       8.8663      0.00000
     16       9.7052      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9772     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0452      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9772     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0411      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3953      1.00000
      2      -7.4515      1.00000
      3      -6.0822      1.00000
      4      -4.2315      1.00000
      5      -1.7504      1.00000
      6       0.9045      1.00000
      7       3.9772     -0.00000
      8       6.0146     -0.00000
      9       6.4895     -0.00000
     10       7.2362     -0.00000
     11       7.3139     -0.00000
     12       7.5158     -0.00000
     13       7.5958     -0.00000
     14       8.3887     -0.00000
     15       8.7500      0.00000
     16      10.0439      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62755
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62755
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62755
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9322      1.00000
      2      -5.9822      1.00000
      3      -4.6069      1.00000
      4      -2.7563      1.00000
      5      -0.3029      1.00000
      6       2.1635      1.00000
      7       3.1267      0.62756
      8       4.1225     -0.00000
      9       5.0896     -0.00000
     10       5.3678     -0.00000
     11       5.9201     -0.00000
     12       6.4986     -0.00000
     13       7.0119     -0.00000
     14       7.7639     -0.00000
     15       8.4075     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8473      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8271      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8418      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8518      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8452      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0459      1.00000
      2      -4.0900      1.00000
      3      -2.7170      1.00000
      4      -0.9163      1.00000
      5      -0.0631      1.00000
      6       0.7425      1.00000
      7       1.7158      1.00000
      8       2.6002      1.00030
      9       4.0697     -0.00000
     10       4.2605     -0.00000
     11       4.8606     -0.00000
     12       5.7469     -0.00000
     13       6.6360     -0.00000
     14       7.4086     -0.00000
     15       7.5442     -0.00000
     16       8.8723      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6665      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6665      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7483      1.00000
      2      -2.7311      1.00000
      3      -1.8031      1.00000
      4      -1.7829      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9612      1.00000
      9       3.7860     -0.00004
     10       3.9045     -0.00000
     11       4.7215     -0.00000
     12       5.7691     -0.00000
     13       6.3928     -0.00000
     14       6.7633     -0.00000
     15       7.1351     -0.00000
     16       8.6669      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6871      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6864      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2564      1.00000
      2      -4.3009      1.00000
      3      -2.9250      1.00000
      4      -1.0991      1.00000
      5       1.1599      1.00000
      6       2.0925      1.00000
      7       2.2556      1.00000
      8       2.9994      0.98610
      9       3.4670     -0.02511
     10       4.2380     -0.00000
     11       4.4932     -0.00000
     12       4.8625     -0.00000
     13       6.1974     -0.00000
     14       6.8415     -0.00000
     15       7.2695     -0.00000
     16       8.6871      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2359     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2373     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2369     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2400     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40884
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2370     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1590      1.00000
      2      -2.2067      1.00000
      3      -0.8655      1.00000
      4      -0.6578      1.00000
      5       0.2028      1.00000
      6       0.8175      1.00000
      7       1.7487      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1776      0.40885
     11       4.1372     -0.00000
     12       4.6652     -0.00000
     13       6.0509     -0.00000
     14       6.1477     -0.00000
     15       6.3685     -0.00000
     16       8.2387     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8783      1.00000
      2      -0.8765      1.00000
      3      -0.8491      1.00000
      4      -0.0103      1.00000
      5       0.0860      1.00000
      6       0.0891      1.00000
      7       1.1047      1.00000
      8       1.1080      1.00000
      9       1.7983      1.00000
     10       2.6655      1.00144
     11       4.0812     -0.00000
     12       4.0848     -0.00000
     13       5.9904     -0.00000
     14       5.9969     -0.00000
     15       6.0806     -0.00000
     16       8.0157     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.956 -61.932  -0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.932  33.078  -0.000   0.071   0.000   0.000   0.007  -0.000
 -0.000  -0.000   2.067   0.000  -0.000  -0.321  -0.000   0.000
 -0.150   0.071   0.000   1.701   0.000  -0.000  -0.261  -0.000
  0.000   0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.7835: real time    425.8186
    FORNL :  cpu time      0.4988: real time      0.5049
    FORCOR:  cpu time      1.9619: real time      1.9737
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.300E-05 -.420E-05 0.182E+03   0.380E-13 0.272E-13 -.181E+03   -.377E-05 0.449E-05 -.107E+01
   0.217E-05 -.150E-05 0.925E+02   0.871E-14 0.189E-14 -.924E+02   -.230E-05 0.188E-05 -.723E-01
   0.113E-05 -.275E-05 -.197E+00   -.147E-12 -.869E-13 0.180E+00   -.158E-05 0.218E-05 0.209E-01
   0.374E-07 0.956E-06 -.927E+02   0.131E-12 0.867E-13 0.926E+02   0.359E-06 -.187E-05 0.102E+00
   -.425E-06 -.250E-05 -.182E+03   -.407E-13 -.257E-13 0.181E+03   0.831E-06 0.285E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.737E-05 -.983E-05 -.200E-01   -.971E-14 0.313E-14 0.284E-13   -.646E-05 0.954E-05 0.111E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000001     -0.026982
      0.00000      0.00000      2.36612        -0.000000      0.000000     -0.001430
      1.42873      0.82488      4.67615        -0.000001     -0.000001      0.004624
      2.85746      1.64976      6.98950         0.000001     -0.000000      0.007723
      0.00000      0.00000      9.36474        -0.000000      0.000000      0.016065
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000000     -0.007956


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90402146 eV

  energy  without entropy=      -13.89698319  energy(sigma->0) =      -13.90167537
 
 d Force =-0.5747910E-04[-0.482E-04,-0.667E-04]  d Energy =-0.5352887E-04-0.395E-05
 d Force =-0.5118298E+00[-0.512E+00,-0.512E+00]  d Ewald  =-0.5118298E+00 0.124E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9549: real time      1.9670


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.165E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.3723
 eigenvalue spectrum of G is  4.3723


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0754
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9556: real time      1.9680
    EDDIAG:  cpu time    580.0771: real time    585.0153
    CHARGE:  cpu time      0.2622: real time      0.2643
 writing wavefunctions
     LOOP+:  cpu time   6897.8754: real time   6956.4706


--------------------------------------- Iteration     31(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2371: real time      1.2426
    TRIAL :  cpu time    587.7644: real time    592.8077
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2638: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    590.0019: real time    595.0597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6979204E-03  (-0.2675471E-02)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008914 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.66110331
  -exchange      EXHF   =        33.26910417
  -V(xc)+E(xc)   XCENC  =       -83.54810244
  PAW double counting   =    101006.12358670  -100905.16533117
  entropy T*S    EENTRO =        -0.00710940
  eigenvalues    EBANDS =       -35.44363202
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90331801 eV

  energy without entropy =      -13.89620861  energy(sigma->0) =      -13.90094821
  exchange ACFDT corr.  =        -0.00644530  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2392: real time      1.2450
    TRIAL :  cpu time    587.5297: real time    592.5639
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2639: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    589.7602: real time    594.8090

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2083820E-03  (-0.2100969E-02)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0008912 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.95276392
  -exchange      EXHF   =        33.26998136
  -V(xc)+E(xc)   XCENC  =       -83.54779628
  PAW double counting   =    101009.97860140  -100909.02037070
  entropy T*S    EENTRO =        -0.00711874
  eigenvalues    EBANDS =       -35.15290576
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90310963 eV

  energy without entropy =      -13.89599089  energy(sigma->0) =      -13.90073672
  exchange ACFDT corr.  =        -0.00647546  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2367: real time      1.2420
    TRIAL :  cpu time    586.3512: real time    591.4111
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    588.5782: real time    593.6517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7940243E-03  ( 0.9194485E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008906 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -703.01560097
  -exchange      EXHF   =        33.27025393
  -V(xc)+E(xc)   XCENC  =       -83.54770419
  PAW double counting   =    101010.46831604  -100909.51009012
  entropy T*S    EENTRO =        -0.00711638
  eigenvalues    EBANDS =       -35.09121327
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390366 eV

  energy without entropy =      -13.89678728  energy(sigma->0) =      -13.90153153
  exchange ACFDT corr.  =        -0.00647250  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7287
    SETDIJ:  cpu time      1.2363: real time      1.2416
    TRIAL :  cpu time    588.7010: real time    593.7616
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2633: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time    590.9275: real time    596.0021

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3371939E-04  (-0.4355638E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008900 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.88991206
  -exchange      EXHF   =        33.27000414
  -V(xc)+E(xc)   XCENC  =       -83.54780349
  PAW double counting   =    101008.73851726  -100907.78028487
  entropy T*S    EENTRO =        -0.00711581
  eigenvalues    EBANDS =       -35.21652821
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386994 eV

  energy without entropy =      -13.89675413  energy(sigma->0) =      -13.90149800
  exchange ACFDT corr.  =        -0.00646939  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7285
    SETDIJ:  cpu time      1.2323: real time      1.2378
    TRIAL :  cpu time    585.1964: real time    590.2312
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2632: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    587.4187: real time    592.4677

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3867070E-05  (-0.2690917E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008890 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.82739549
  -exchange      EXHF   =        33.26990763
  -V(xc)+E(xc)   XCENC  =       -83.54784506
  PAW double counting   =    101008.13205635  -100907.17381148
  entropy T*S    EENTRO =        -0.00712099
  eigenvalues    EBANDS =       -35.27891588
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386607 eV

  energy without entropy =      -13.89674508  energy(sigma->0) =      -13.90149241
  exchange ACFDT corr.  =        -0.00646920  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2317: real time      1.2376
    TRIAL :  cpu time    586.9428: real time    591.9952
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2624: real time      0.2646
    --------------------------------------------
      LOOP:  cpu time    589.1633: real time    594.2297

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1150522E-03  ( 0.4908834E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008880 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.87477591
  -exchange      EXHF   =        33.27007810
  -V(xc)+E(xc)   XCENC  =       -83.54778301
  PAW double counting   =    101009.06589584  -100908.10767625
  entropy T*S    EENTRO =        -0.00712536
  eigenvalues    EBANDS =       -35.23185257
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398112 eV

  energy without entropy =      -13.89685576  energy(sigma->0) =      -13.90160600
  exchange ACFDT corr.  =        -0.00647509  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7274
    SETDIJ:  cpu time      1.2310: real time      1.2367
    TRIAL :  cpu time    587.7197: real time    592.7877
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2629: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time    589.9401: real time    595.0221

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1358836E-04  (-0.7202927E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008869 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.92367712
  -exchange      EXHF   =        33.27023034
  -V(xc)+E(xc)   XCENC  =       -83.54772708
  PAW double counting   =    101010.14523486  -100909.18701443
  entropy T*S    EENTRO =        -0.00712645
  eigenvalues    EBANDS =       -35.18314241
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90396753 eV

  energy without entropy =      -13.89684108  energy(sigma->0) =      -13.90159205
  exchange ACFDT corr.  =        -0.00648043  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2334: real time      1.2388
    TRIAL :  cpu time    589.2608: real time    594.2628
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    591.4853: real time    596.5010

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5962487E-05  (-0.3319603E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008857 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.91300004
  -exchange      EXHF   =        33.27020909
  -V(xc)+E(xc)   XCENC  =       -83.54773505
  PAW double counting   =    101010.56847901  -100909.61022949
  entropy T*S    EENTRO =        -0.00712678
  eigenvalues    EBANDS =       -35.19382423
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90397350 eV

  energy without entropy =      -13.89684672  energy(sigma->0) =      -13.90159790
  exchange ACFDT corr.  =        -0.00648203  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2301: real time      1.2354
    TRIAL :  cpu time    587.9226: real time    592.9491
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    590.1426: real time    595.1827

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1546805E-04  ( 0.2028658E-06)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0008847 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.88352984
  -exchange      EXHF   =        33.27012922
  -V(xc)+E(xc)   XCENC  =       -83.54776397
  PAW double counting   =    101010.93212437  -100909.97388473
  entropy T*S    EENTRO =        -0.00712826
  eigenvalues    EBANDS =       -35.22319092
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398896 eV

  energy without entropy =      -13.89686070  energy(sigma->0) =      -13.90161288
  exchange ACFDT corr.  =        -0.00648246  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7277
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    586.0987: real time    591.0869
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2631: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time    588.3196: real time    593.3216

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2394430E-05  (-0.1176425E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008838 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.88207800
  -exchange      EXHF   =        33.27012818
  -V(xc)+E(xc)   XCENC  =       -83.54776485
  PAW double counting   =    101011.69082713  -100910.73259063
  entropy T*S    EENTRO =        -0.00713037
  eigenvalues    EBANDS =       -35.22463381
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398657 eV

  energy without entropy =      -13.89685620  energy(sigma->0) =      -13.90160978
  exchange ACFDT corr.  =        -0.00648424  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     31(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    588.6510: real time    593.6634
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    581.6231: real time    586.5283
    CHARGE:  cpu time      0.2626: real time      0.2647
    --------------------------------------------
      LOOP:  cpu time   1172.4941: real time   1182.4254

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1806766E-05  (-0.3966394E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008830 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.94786943
  -Hartree energ DENC   =      -702.89715414
  -exchange      EXHF   =        33.27019319
  -V(xc)+E(xc)   XCENC  =       -83.54774904
  PAW double counting   =    101012.62513597  -100911.66689490
  entropy T*S    EENTRO =        -0.00713191
  eigenvalues    EBANDS =       -35.20962480
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398838 eV

  energy without entropy =      -13.89685647  energy(sigma->0) =      -13.90161108
  exchange ACFDT corr.  =        -0.00648676  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9971


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8851       2 -69.7616       3 -69.7610       4 -69.7796       5 -69.9086
 
 
 
 E-fermi :   3.1557     XC(G=0):  -5.1200     alpha+bet : -8.9779

 Fermi energy:         3.1556857066

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9003      1.00000
      2      -9.9630      1.00000
      3      -8.6067      1.00000
      4      -6.7731      1.00000
      5      -4.3206      1.00000
      6      -1.5848      1.00000
      7       1.6505      1.00000
      8       4.6244     -0.00000
      9       5.4035     -0.00000
     10       7.9253     -0.00000
     11       7.9875     -0.00000
     12      11.8877      0.00000
     13      12.1873      0.00000
     14      16.0487      0.00000
     15      16.0545      0.00000
     16      16.0624      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3130      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3134      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3130      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5015      0.00000
     16      12.7605      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5016      0.00000
     16      12.7676      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5019      0.00000
     16      12.7989      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.5982      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.6000      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.6062      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5124      0.00000
     16      10.8205      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5124      0.00000
     16      10.8197      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5124      0.00000
     16      10.8199      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3991      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3903      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3910      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01035
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5346      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01036
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5347      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01035
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5346      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0419      0.00000
     16      12.6310      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0419      0.00000
     16      12.6286      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0419      0.00000
     16      12.6307      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0460      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0427      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.1093      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0929      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0439      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0513      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7050      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7058      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7049      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7048      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7048      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7049      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0405      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0505      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0453      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8334      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8395      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8292      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8685      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8572      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8707      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6676      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6666      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6664      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6865      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6888      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6894      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2354     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2379     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2363     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2364     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2361     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.3111     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8799      1.00000
      3      -0.8521      1.00000
      4      -0.0110      1.00000
      5       0.0877      1.00000
      6       0.0888      1.00000
      7       1.1062      1.00000
      8       1.1062      1.00000
      9       1.7984      1.00000
     10       2.6644      1.00140
     11       4.0766     -0.00000
     12       4.0870     -0.00000
     13       5.9900     -0.00000
     14       5.9982     -0.00000
     15       6.0813     -0.00000
     16       8.0148     -0.00000
 Fermi energy:         3.1556857066

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9003      1.00000
      2      -9.9630      1.00000
      3      -8.6067      1.00000
      4      -6.7731      1.00000
      5      -4.3206      1.00000
      6      -1.5848      1.00000
      7       1.6505      1.00000
      8       4.6244     -0.00000
      9       5.4035     -0.00000
     10       7.9253     -0.00000
     11       7.9875     -0.00000
     12      11.8877      0.00000
     13      12.1873      0.00000
     14      16.0510      0.00000
     15      16.0572      0.00000
     16      16.0951      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3129      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3129      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6919      1.00000
      2      -9.7539      1.00000
      3      -8.3966      1.00000
      4      -6.5613      1.00000
      5      -4.1047      1.00000
      6      -1.3748      1.00000
      7       1.8639      1.00000
      8       4.8074     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1525     -0.00000
     12      12.0166      0.00000
     13      12.2813      0.00000
     14      13.1145      0.00000
     15      13.8746      0.00000
     16      14.3130      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5020      0.00000
     16      12.7865      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5015      0.00000
     16      12.7607      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0666      1.00000
      2      -9.1265      1.00000
      3      -7.7660      1.00000
      4      -5.9261      1.00000
      5      -3.4582      1.00000
      6      -0.7461      1.00000
      7       2.4890      1.00001
      8       5.3396     -0.00000
      9       6.0957     -0.00000
     10       8.4760     -0.00000
     11       8.6249      0.00000
     12       9.7215      0.00000
     13      10.2927      0.00000
     14      11.3891      0.00000
     15      12.5017      0.00000
     16      12.7727      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.5988      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.6047      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0239      1.00000
      2      -8.0798      1.00000
      3      -6.7139      1.00000
      4      -4.8674      1.00000
      5      -2.3871      1.00000
      6       0.2907      1.00000
      7       3.4416     -0.03073
      8       5.6407     -0.00000
      9       6.5362     -0.00000
     10       6.8870     -0.00000
     11       7.0421     -0.00000
     12       8.0757     -0.00000
     13       9.3953      0.00000
     14       9.5742      0.00000
     15       9.8035      0.00000
     16      11.6009      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5124      0.00000
     16      10.8200      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5125      0.00000
     16      10.8214      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5618      1.00000
      2      -6.6113      1.00000
      3      -5.2386      1.00000
      4      -3.3890      1.00000
      5      -0.9221      1.00000
      6       1.5783      1.00000
      7       2.5356      1.00005
      8       3.5486     -0.00898
      9       4.8158     -0.00000
     10       5.1554     -0.00000
     11       6.5077     -0.00000
     12       7.6454     -0.00000
     13       8.2054     -0.00000
     14       8.7223      0.00000
     15      10.5125      0.00000
     16      10.8212      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3912      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3924      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6765      1.00000
      2      -4.7187      1.00000
      3      -3.3451      1.00000
      4      -1.5353      1.00000
      5      -0.6825      1.00000
      6       0.1409      1.00000
      7       1.1259      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00174
     10       3.7423     -0.00014
     11       5.9431     -0.00000
     12       6.7301     -0.00000
     13       8.2384     -0.00000
     14       9.1903      0.00000
     15       9.7439      0.00000
     16      10.3923      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01036
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5347      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01035
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5347      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3768      1.00000
      2      -3.3600      1.00000
      3      -2.4162      1.00000
      4      -2.4150      1.00000
      5      -1.2809      1.00000
      6      -0.8920      1.00000
      7       0.6233      1.00000
      8       1.3674      1.00000
      9       3.3943     -0.03529
     10       3.5395     -0.01036
     11       5.6739     -0.00000
     12       6.0220     -0.00000
     13       8.4295     -0.00000
     14       8.8747      0.00000
     15      10.2228      0.00000
     16      10.5347      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0419      0.00000
     16      12.6289      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0419      0.00000
     16      12.6267      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2751      1.00000
      2      -9.3357      1.00000
      3      -7.9762      1.00000
      4      -6.1379      1.00000
      5      -3.6735      1.00000
      6      -0.9554      1.00000
      7       2.2835      1.00000
      8       5.1667     -0.00000
      9       5.9245     -0.00000
     10       8.4177     -0.00000
     11       8.4607     -0.00000
     12      11.4153      0.00000
     13      11.4316      0.00000
     14      11.8994      0.00000
     15      12.0420      0.00000
     16      12.6745      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77582
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77582
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77583
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4412      1.00000
      2      -8.4987      1.00000
      3      -7.1349      1.00000
      4      -5.2908      1.00000
      5      -2.8142      1.00000
      6      -0.1210      1.00000
      7       3.0865      0.77582
      8       5.8196     -0.00000
      9       6.5927     -0.00000
     10       7.8459     -0.00000
     11       8.6115     -0.00000
     12       8.9978      0.00000
     13       9.4163      0.00000
     14       9.8488      0.00000
     15      10.1748      0.00000
     16      10.7366      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0433      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0468      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0445      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0446      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.2115      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1890      1.00000
      2      -7.2413      1.00000
      3      -5.8712      1.00000
      4      -4.0214      1.00000
      5      -1.5402      1.00000
      6       1.0961      1.00000
      7       3.8151     -0.00002
      8       4.6905     -0.00000
      9       5.4303     -0.00000
     10       6.5183     -0.00000
     11       7.0811     -0.00000
     12       7.6889     -0.00000
     13       8.1686     -0.00000
     14       8.8853      0.00000
     15       9.6184      0.00000
     16      10.0475      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9903      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5155      1.00000
      2      -5.5607      1.00000
      3      -4.1852      1.00000
      4      -2.3426      1.00000
      5       0.0268      1.00000
      6       0.9904      1.00000
      7       1.9955      1.00000
      8       2.9948      0.99145
      9       3.5330     -0.01137
     10       5.1805     -0.00000
     11       5.9229     -0.00000
     12       7.3350     -0.00000
     13       7.9798     -0.00000
     14       8.6444      0.00000
     15       9.0969      0.00000
     16       9.1422      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7048      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7051      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7051      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7049      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7048      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4177      1.00000
      2      -3.4589      1.00000
      3      -2.1021      1.00000
      4      -1.9069      1.00000
      5      -1.0199      1.00000
      6      -0.3654      1.00000
      7       0.6472      1.00000
      8       2.2848      1.00000
      9       2.6654      1.00143
     10       4.7479     -0.00000
     11       4.9032     -0.00000
     12       7.0262     -0.00000
     13       7.4950     -0.00000
     14       8.0230     -0.00000
     15       8.8669      0.00000
     16       9.7055      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0448      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0408      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3979      1.00000
      2      -7.4512      1.00000
      3      -6.0821      1.00000
      4      -4.2327      1.00000
      5      -1.7498      1.00000
      6       0.9045      1.00000
      7       3.9785     -0.00000
      8       6.0132     -0.00000
      9       6.4875     -0.00000
     10       7.2356     -0.00000
     11       7.3129     -0.00000
     12       7.5166     -0.00000
     13       7.5964     -0.00000
     14       8.3889     -0.00000
     15       8.7498      0.00000
     16      10.0436      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9349      1.00000
      2      -5.9818      1.00000
      3      -4.6067      1.00000
      4      -2.7575      1.00000
      5      -0.3024      1.00000
      6       2.1630      1.00000
      7       3.1244      0.63274
      8       4.1228     -0.00000
      9       5.0884     -0.00000
     10       5.3677     -0.00000
     11       5.9200     -0.00000
     12       6.4988     -0.00000
     13       7.0112     -0.00000
     14       7.7636     -0.00000
     15       8.4075     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8466      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8263      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8399      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8501      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8428      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0487      1.00000
      2      -4.0898      1.00000
      3      -2.7169      1.00000
      4      -0.9175      1.00000
      5      -0.0661      1.00000
      6       0.7428      1.00000
      7       1.7161      1.00000
      8       2.6004      1.00031
      9       4.0691     -0.00000
     10       4.2591     -0.00000
     11       4.8584     -0.00000
     12       5.7472     -0.00000
     13       6.6366     -0.00000
     14       7.4089     -0.00000
     15       7.5453     -0.00000
     16       8.8718      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6653      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7511      1.00000
      2      -2.7341      1.00000
      3      -1.8033      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2234      1.00000
      8       1.9601      1.00000
      9       3.7865     -0.00004
     10       3.9036     -0.00000
     11       4.7201     -0.00000
     12       5.7693     -0.00000
     13       6.3927     -0.00000
     14       6.7634     -0.00000
     15       7.1349     -0.00000
     16       8.6656      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6873      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6866      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2592      1.00000
      2      -4.3006      1.00000
      3      -2.9249      1.00000
      4      -1.1004      1.00000
      5       1.1599      1.00000
      6       2.0898      1.00000
      7       2.2532      1.00000
      8       2.9989      0.98608
      9       3.4677     -0.02495
     10       4.2381     -0.00000
     11       4.4929     -0.00000
     12       4.8624     -0.00000
     13       6.1963     -0.00000
     14       6.8404     -0.00000
     15       7.2706     -0.00000
     16       8.6872      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2360     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2372     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41086
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2368     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41086
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2393     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2369     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1619      1.00000
      2      -2.2065      1.00000
      3      -0.8656      1.00000
      4      -0.6605      1.00000
      5       0.2027      1.00000
      6       0.8167      1.00000
      7       1.7462      1.00000
      8       1.8319      1.00000
      9       2.5776      1.00017
     10       3.1770      0.41087
     11       4.1370     -0.00000
     12       4.6653     -0.00000
     13       6.0509     -0.00000
     14       6.1470     -0.00000
     15       6.3682     -0.00000
     16       8.2383     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8806      1.00000
      2      -0.8799      1.00000
      3      -0.8521      1.00000
      4      -0.0110      1.00000
      5       0.0877      1.00000
      6       0.0888      1.00000
      7       1.1062      1.00000
      8       1.1062      1.00000
      9       1.7984      1.00000
     10       2.6644      1.00140
     11       4.0766     -0.00000
     12       4.0870     -0.00000
     13       5.9900     -0.00000
     14       5.9982     -0.00000
     15       6.0813     -0.00000
     16       8.0153     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.960 -61.934   0.000  -0.152   0.000  -0.000  -0.011  -0.000
-61.934  33.079  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067   0.000  -0.000  -0.321  -0.000   0.000
 -0.152   0.072   0.000   1.700   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6833: real time    426.7470
    FORNL :  cpu time      0.4986: real time      0.5046
    FORCOR:  cpu time      1.9486: real time      1.9601
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.190E-05 -.122E-05 0.182E+03   0.361E-13 0.315E-13 -.181E+03   -.253E-05 0.117E-05 -.107E+01
   0.827E-06 0.134E-05 0.925E+02   0.967E-14 0.479E-14 -.924E+02   -.586E-06 -.119E-05 -.751E-01
   0.118E-05 -.617E-06 -.206E+00   -.149E-12 -.881E-13 0.195E+00   -.188E-05 -.521E-07 0.215E-01
   0.324E-06 0.102E-05 -.927E+02   0.137E-12 0.836E-13 0.926E+02   -.627E-06 -.136E-05 0.106E+00
   -.183E-05 -.288E-05 -.182E+03   -.435E-13 -.287E-13 0.181E+03   0.265E-05 0.333E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.277E-05 -.233E-05 -.347E-02   -.971E-14 0.313E-14 -.284E-13   -.298E-05 0.190E-05 0.686E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.030980
      0.00000      0.00000      2.36621         0.000000      0.000000     -0.002555
      1.42873      0.82488      4.67533        -0.000001     -0.000001      0.009380
      2.85746      1.64976      6.98807        -0.000000     -0.000000      0.014235
      0.00000      0.00000      9.36412         0.000000      0.000000      0.009919
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000      0.003917


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90398838 eV

  energy  without entropy=      -13.89685647  energy(sigma->0) =      -13.90161108
 
 d Force =-0.2957534E-04[-0.343E-04,-0.248E-04]  d Energy =-0.3308314E-04 0.351E-05
 d Force =-0.2524414E+00[-0.252E+00,-0.252E+00]  d Ewald  =-0.2524414E+00 0.264E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9513: real time      1.9630


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.191E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   5.9547
 eigenvalue spectrum of G is  5.9837  5.9257


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2427: real time      1.3174
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0844
    POTLOK:  cpu time      1.9510: real time      1.9630
    EDDIAG:  cpu time    582.5275: real time    587.4622
    CHARGE:  cpu time      0.2621: real time      0.2643
 writing wavefunctions
     LOOP+:  cpu time   8083.3218: real time   8152.1131


--------------------------------------- Iteration     32(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7293
    SETDIJ:  cpu time      1.2321: real time      1.2380
    TRIAL :  cpu time    590.0719: real time    595.0852
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2628: real time      0.2651
    --------------------------------------------
      LOOP:  cpu time    592.3041: real time    597.3321

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2638013E-02  (-0.8018779E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0008956 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -704.92050870
  -exchange      EXHF   =        33.27783132
  -V(xc)+E(xc)   XCENC  =       -83.54533030
  PAW double counting   =    101004.73489544  -100903.77743391
  entropy T*S    EENTRO =        -0.00743274
  eigenvalues    EBANDS =       -35.43486145
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90134856 eV

  energy without entropy =      -13.89391581  energy(sigma->0) =      -13.89887098
  exchange ACFDT corr.  =        -0.00680276  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2324: real time      1.2378
    TRIAL :  cpu time    585.7847: real time    590.7593
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    588.0076: real time    592.9959

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6813072E-03  (-0.7809276E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0008861 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.11712805
  -exchange      EXHF   =        33.27914101
  -V(xc)+E(xc)   XCENC  =       -83.54492602
  PAW double counting   =    101006.48887837  -100905.53142408
  entropy T*S    EENTRO =        -0.00744933
  eigenvalues    EBANDS =       -35.24061649
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90202986 eV

  energy without entropy =      -13.89458053  energy(sigma->0) =      -13.89954675
  exchange ACFDT corr.  =        -0.00683053  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2350: real time      1.2404
    TRIAL :  cpu time    587.4067: real time    592.4056
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2653: real time      0.2675
    --------------------------------------------
      LOOP:  cpu time    589.6338: real time    594.6464

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6557376E-03  (-0.5164319E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0008762 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.19362852
  -exchange      EXHF   =        33.28023897
  -V(xc)+E(xc)   XCENC  =       -83.54460856
  PAW double counting   =    101007.52065775  -100906.56320747
  entropy T*S    EENTRO =        -0.00746416
  eigenvalues    EBANDS =       -35.16616657
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90268560 eV

  energy without entropy =      -13.89522144  energy(sigma->0) =      -13.90019755
  exchange ACFDT corr.  =        -0.00685229  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2363: real time      1.2417
    TRIAL :  cpu time    588.2905: real time    593.3244
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2626: real time      0.2649
    --------------------------------------------
      LOOP:  cpu time    590.5171: real time    595.5648

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4271837E-03  (-0.3002585E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0008677 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.14471812
  -exchange      EXHF   =        33.28078439
  -V(xc)+E(xc)   XCENC  =       -83.54447345
  PAW double counting   =    101007.94801543  -100906.99052747
  entropy T*S    EENTRO =        -0.00747787
  eigenvalues    EBANDS =       -35.21620755
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90311279 eV

  energy without entropy =      -13.89563492  energy(sigma->0) =      -13.90062016
  exchange ACFDT corr.  =        -0.00687201  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7283
    SETDIJ:  cpu time      1.2348: real time      1.2402
    TRIAL :  cpu time    588.0074: real time    593.0458
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2627: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time    590.2321: real time    595.2841

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2432077E-03  (-0.1717795E-03)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008606 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.11554127
  -exchange      EXHF   =        33.28111357
  -V(xc)+E(xc)   XCENC  =       -83.54439535
  PAW double counting   =    101008.80192343  -100907.84438171
  entropy T*S    EENTRO =        -0.00749075
  eigenvalues    EBANDS =       -35.24607495
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90335599 eV

  energy without entropy =      -13.89586525  energy(sigma->0) =      -13.90085908
  exchange ACFDT corr.  =        -0.00689083  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2323: real time      1.2377
    TRIAL :  cpu time    588.1899: real time    593.2061
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2631: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time    590.4126: real time    595.4424

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1404135E-03  (-0.9766894E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0008547 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.14320843
  -exchange      EXHF   =        33.28137769
  -V(xc)+E(xc)   XCENC  =       -83.54432465
  PAW double counting   =    101010.63418743  -100909.67662975
  entropy T*S    EENTRO =        -0.00750130
  eigenvalues    EBANDS =       -35.21888609
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90349641 eV

  energy without entropy =      -13.89599511  energy(sigma->0) =      -13.90099597
  exchange ACFDT corr.  =        -0.00691160  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2321: real time      1.2375
    TRIAL :  cpu time    586.4611: real time    591.4566
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2624: real time      0.2646
    --------------------------------------------
      LOOP:  cpu time    588.6819: real time    593.6910

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8069107E-04  (-0.6047620E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0008497 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.16693961
  -exchange      EXHF   =        33.28150757
  -V(xc)+E(xc)   XCENC  =       -83.54428758
  PAW double counting   =    101012.18917862  -100911.23160992
  entropy T*S    EENTRO =        -0.00750943
  eigenvalues    EBANDS =       -35.19540302
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90357710 eV

  energy without entropy =      -13.89606767  energy(sigma->0) =      -13.90107396
  exchange ACFDT corr.  =        -0.00692648  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2317: real time      1.2370
    TRIAL :  cpu time    588.1519: real time    593.1652
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2625: real time      0.2646
    --------------------------------------------
      LOOP:  cpu time    590.3741: real time    595.4009

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5070199E-04  (-0.3905207E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0008458 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.15636179
  -exchange      EXHF   =        33.28151035
  -V(xc)+E(xc)   XCENC  =       -83.54429147
  PAW double counting   =    101013.61495487  -100912.65741678
  entropy T*S    EENTRO =        -0.00751629
  eigenvalues    EBANDS =       -35.20599169
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90362780 eV

  energy without entropy =      -13.89611151  energy(sigma->0) =      -13.90112237
  exchange ACFDT corr.  =        -0.00693947  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    589.4560: real time    594.5096
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2632: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time    591.6763: real time    596.7435

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3319583E-04  (-0.2508114E-04)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0008422 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.13952391
  -exchange      EXHF   =        33.28150651
  -V(xc)+E(xc)   XCENC  =       -83.54429907
  PAW double counting   =    101014.59439059  -100913.63678640
  entropy T*S    EENTRO =        -0.00752269
  eigenvalues    EBANDS =       -35.22291056
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90366100 eV

  energy without entropy =      -13.89613830  energy(sigma->0) =      -13.90115343
  exchange ACFDT corr.  =        -0.00695078  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2320: real time      1.2374
    TRIAL :  cpu time    587.4358: real time    592.4736
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2656: real time      0.2679
    --------------------------------------------
      LOOP:  cpu time    589.6609: real time    594.7125

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2144308E-04  (-0.1591434E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008387 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.14117118
  -exchange      EXHF   =        33.28157049
  -V(xc)+E(xc)   XCENC  =       -83.54428550
  PAW double counting   =    101016.55731931  -100915.59969535
  entropy T*S    EENTRO =        -0.00752876
  eigenvalues    EBANDS =       -35.22137567
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368244 eV

  energy without entropy =      -13.89615368  energy(sigma->0) =      -13.90117285
  exchange ACFDT corr.  =        -0.00696298  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7274
    SETDIJ:  cpu time      1.2327: real time      1.2381
    TRIAL :  cpu time    586.2839: real time    591.3190
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    588.5075: real time    593.5562

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1342066E-04  (-0.9282616E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008347 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.15235835
  -exchange      EXHF   =        33.28166706
  -V(xc)+E(xc)   XCENC  =       -83.54426171
  PAW double counting   =    101019.45551517  -100918.49791479
  entropy T*S    EENTRO =        -0.00753432
  eigenvalues    EBANDS =       -35.21029262
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90369586 eV

  energy without entropy =      -13.89616154  energy(sigma->0) =      -13.90118442
  exchange ACFDT corr.  =        -0.00697339  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     32(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2362: real time      1.2415
    TRIAL :  cpu time    589.6179: real time    594.6468
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    582.0291: real time    586.9687
    CHARGE:  cpu time      0.2624: real time      0.2647
    --------------------------------------------
      LOOP:  cpu time   1173.8720: real time   1183.8542

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7817827E-05  (-0.5268723E-05)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0008308 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       407.19009390
  -Hartree energ DENC   =      -705.15681626
  -exchange      EXHF   =        33.28178351
  -V(xc)+E(xc)   XCENC  =       -83.54424565
  PAW double counting   =    101023.30917210  -100922.35159149
  entropy T*S    EENTRO =        -0.00753932
  eigenvalues    EBANDS =       -35.20590632
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370368 eV

  energy without entropy =      -13.89616436  energy(sigma->0) =      -13.90119057
  exchange ACFDT corr.  =        -0.00698182  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1621


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8933       2 -69.7634       3 -69.7527       4 -69.7679       5 -69.8985
 
 
 
 E-fermi :   3.1569     XC(G=0):  -5.1184     alpha+bet : -8.9779

 Fermi energy:         3.1569369551

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9076      1.00000
      2      -9.9596      1.00000
      3      -8.6037      1.00000
      4      -6.7744      1.00000
      5      -4.3105      1.00000
      6      -1.5797      1.00000
      7       1.6697      1.00000
      8       4.6304     -0.00000
      9       5.4030     -0.00000
     10       7.9250     -0.00000
     11       7.9926     -0.00000
     12      11.8888      0.00000
     13      12.1913      0.00000
     14      16.0397      0.00000
     15      16.0461      0.00000
     16      16.0551      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3050      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3053      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3050      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5037      0.00000
     16      12.7597      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5038      0.00000
     16      12.7670      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5039      0.00000
     16      12.7961      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6044      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6058      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6108      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7299      0.00000
     15      10.5132      0.00000
     16      10.8224      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7299      0.00000
     15      10.5131      0.00000
     16      10.8219      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7299      0.00000
     15      10.5131      0.00000
     16      10.8223      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3895      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3818      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3825      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0465      0.00000
     16      12.6317      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0465      0.00000
     16      12.6295      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0465      0.00000
     16      12.6320      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72538
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0522      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0499      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0936      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0815      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0508      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0571      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98973
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98973
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7103      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7112      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6695      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6695      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0409      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0495      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0431      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8339      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8405      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8278      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8726      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8554      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8715      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6660      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6651      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6648      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6918      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6939      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6945      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42068
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2410     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2428     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8641      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42067
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2415     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8641      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42068
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2416     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42067
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2413     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.3002     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8904      1.00000
      2      -0.8884      1.00000
      3      -0.8625      1.00000
      4      -0.0125      1.00000
      5       0.0899      1.00000
      6       0.0941      1.00000
      7       1.1050      1.00000
      8       1.1110      1.00000
      9       1.7987      1.00000
     10       2.6603      1.00124
     11       4.0785     -0.00000
     12       4.0809     -0.00000
     13       5.9964     -0.00000
     14       6.0044     -0.00000
     15       6.0933     -0.00000
     16       8.0157     -0.00000
 Fermi energy:         3.1569369551

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.9076      1.00000
      2      -9.9596      1.00000
      3      -8.6037      1.00000
      4      -6.7744      1.00000
      5      -4.3105      1.00000
      6      -1.5797      1.00000
      7       1.6697      1.00000
      8       4.6304     -0.00000
      9       5.4030     -0.00000
     10       7.9250     -0.00000
     11       7.9926     -0.00000
     12      11.8888      0.00000
     13      12.1913      0.00000
     14      16.0428      0.00000
     15      16.0502      0.00000
     16      16.0800      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3050      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3050      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6993      1.00000
      2      -9.7506      1.00000
      3      -8.3937      1.00000
      4      -6.5627      1.00000
      5      -4.0946      1.00000
      6      -1.3698      1.00000
      7       1.8830      1.00000
      8       4.8134     -0.00000
      9       5.5774     -0.00000
     10       8.0928     -0.00000
     11       8.1575     -0.00000
     12      12.0172      0.00000
     13      12.2843      0.00000
     14      13.1088      0.00000
     15      13.8768      0.00000
     16      14.3050      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5041      0.00000
     16      12.7851      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5037      0.00000
     16      12.7601      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0741      1.00000
      2      -9.1233      1.00000
      3      -7.7632      1.00000
      4      -5.9277      1.00000
      5      -3.4484      1.00000
      6      -0.7414      1.00000
      7       2.5074      1.00002
      8       5.3454     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6271      0.00000
     12       9.7162      0.00000
     13      10.2941      0.00000
     14      11.3917      0.00000
     15      12.5038      0.00000
     16      12.7721      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6049      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6096      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0317      1.00000
      2      -8.0767      1.00000
      3      -6.7112      1.00000
      4      -4.8694      1.00000
      5      -2.3777      1.00000
      6       0.2948      1.00000
      7       3.4571     -0.02811
      8       5.6378     -0.00000
      9       6.5360     -0.00000
     10       6.8901     -0.00000
     11       7.0414     -0.00000
     12       8.0777     -0.00000
     13       9.3945      0.00000
     14       9.5744      0.00000
     15       9.8061      0.00000
     16      11.6066      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7299      0.00000
     15      10.5131      0.00000
     16      10.8224      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7299      0.00000
     15      10.5132      0.00000
     16      10.8237      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5699      1.00000
      2      -6.6084      1.00000
      3      -5.2362      1.00000
      4      -3.3914      1.00000
      5      -0.9135      1.00000
      6       1.5799      1.00000
      7       2.5278      1.00004
      8       3.5511     -0.00890
      9       4.8191     -0.00000
     10       5.1691     -0.00000
     11       6.5045     -0.00000
     12       7.6497     -0.00000
     13       8.2049     -0.00000
     14       8.7300      0.00000
     15      10.5131      0.00000
     16      10.8234      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3826      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3837      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6851      1.00000
      2      -4.7160      1.00000
      3      -3.3429      1.00000
      4      -1.5381      1.00000
      5      -0.6925      1.00000
      6       0.1445      1.00000
      7       1.1308      1.00000
      8       2.0328      1.00000
      9       3.6350     -0.00189
     10       3.7447     -0.00013
     11       5.9505     -0.00000
     12       6.7435     -0.00000
     13       8.2422     -0.00000
     14       9.1937      0.00000
     15       9.7429      0.00000
     16      10.3836      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3858      1.00000
      2      -3.3698      1.00000
      3      -2.4141      1.00000
      4      -2.4123      1.00000
      5      -1.2787      1.00000
      6      -0.8905      1.00000
      7       0.6197      1.00000
      8       1.3651      1.00000
      9       3.4009     -0.03545
     10       3.5492     -0.00924
     11       5.6753     -0.00000
     12       6.0261     -0.00000
     13       8.4427     -0.00000
     14       8.8835      0.00000
     15      10.2144      0.00000
     16      10.5354      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0465      0.00000
     16      12.6302      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0465      0.00000
     16      12.6277      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2825      1.00000
      2      -9.3324      1.00000
      3      -7.9734      1.00000
      4      -6.1394      1.00000
      5      -3.6636      1.00000
      6      -0.9506      1.00000
      7       2.3023      1.00000
      8       5.1726     -0.00000
      9       5.9241     -0.00000
     10       8.4170     -0.00000
     11       8.4654     -0.00000
     12      11.4061      0.00000
     13      11.4237      0.00000
     14      11.9010      0.00000
     15      12.0466      0.00000
     16      12.6723      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4488      1.00000
      2      -8.4955      1.00000
      3      -7.1322      1.00000
      4      -5.2926      1.00000
      5      -2.8047      1.00000
      6      -0.1166      1.00000
      7       3.1038      0.72537
      8       5.8248     -0.00000
      9       6.5918     -0.00000
     10       7.8377     -0.00000
     11       8.6156     -0.00000
     12       8.9972      0.00000
     13       9.4162      0.00000
     14       9.8519      0.00000
     15      10.1698      0.00000
     16      10.7378      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0504      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0526      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0514      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0515      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.2018      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1969      1.00000
      2      -7.2383      1.00000
      3      -5.8687      1.00000
      4      -4.0236      1.00000
      5      -1.5312      1.00000
      6       1.0996      1.00000
      7       3.8168     -0.00002
      8       4.6927     -0.00000
      9       5.4354     -0.00000
     10       6.5201     -0.00000
     11       7.0845     -0.00000
     12       7.6883     -0.00000
     13       8.1661     -0.00000
     14       8.8774      0.00000
     15       9.6217      0.00000
     16      10.0533      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98973
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98974
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5240      1.00000
      2      -5.5579      1.00000
      3      -4.1829      1.00000
      4      -2.3454      1.00000
      5       0.0336      1.00000
      6       0.9821      1.00000
      7       1.9970      1.00000
      8       2.9980      0.98973
      9       3.5352     -0.01135
     10       5.1777     -0.00000
     11       5.9352     -0.00000
     12       7.3404     -0.00000
     13       7.9785     -0.00000
     14       8.6451      0.00000
     15       9.0964      0.00000
     16       9.1462      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6695      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7103      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7104      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6695      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7101      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7100      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4268      1.00000
      2      -3.4564      1.00000
      3      -2.1002      1.00000
      4      -1.9165      1.00000
      5      -1.0183      1.00000
      6      -0.3667      1.00000
      7       0.6480      1.00000
      8       2.2857      1.00000
      9       2.6694      1.00148
     10       4.7553     -0.00000
     11       4.9059     -0.00000
     12       7.0270     -0.00000
     13       7.4978     -0.00000
     14       8.0255     -0.00000
     15       8.8731      0.00000
     16       9.7107      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0450      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0403      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.4058      1.00000
      2      -7.4481      1.00000
      3      -6.0795      1.00000
      4      -4.2348      1.00000
      5      -1.7407      1.00000
      6       0.9082      1.00000
      7       3.9920     -0.00000
      8       6.0099     -0.00000
      9       6.4807     -0.00000
     10       7.2336     -0.00000
     11       7.3134     -0.00000
     12       7.5202     -0.00000
     13       7.5973     -0.00000
     14       8.3913     -0.00000
     15       8.7512      0.00000
     16      10.0435      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9432      1.00000
      2      -5.9790      1.00000
      3      -4.6044      1.00000
      4      -2.7602      1.00000
      5      -0.2941      1.00000
      6       2.1643      1.00000
      7       3.1165      0.67167
      8       4.1251     -0.00000
      9       5.0869     -0.00000
     10       5.3693     -0.00000
     11       5.9234     -0.00000
     12       6.5035     -0.00000
     13       7.0111     -0.00000
     14       7.7652     -0.00000
     15       8.4105     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8508      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8272      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8409      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8529      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8412      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0575      1.00000
      2      -4.0871      1.00000
      3      -2.7148      1.00000
      4      -0.9205      1.00000
      5      -0.0761      1.00000
      6       0.7464      1.00000
      7       1.7206      1.00000
      8       2.6035      1.00032
      9       4.0684     -0.00000
     10       4.2579     -0.00000
     11       4.8519     -0.00000
     12       5.7502     -0.00000
     13       6.6418     -0.00000
     14       7.4129     -0.00000
     15       7.5585     -0.00000
     16       8.8750      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6636      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6636      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7603      1.00000
      2      -2.7439      1.00000
      3      -1.8025      1.00000
      4      -1.7785      1.00000
      5      -0.6646      1.00000
      6      -0.2781      1.00000
      7       1.2196      1.00000
      8       1.9578      1.00000
      9       3.7923     -0.00003
     10       3.9065     -0.00000
     11       4.7179     -0.00000
     12       5.7714     -0.00000
     13       6.3937     -0.00000
     14       6.7681     -0.00000
     15       7.1371     -0.00000
     16       8.6639      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6925      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6918      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2679      1.00000
      2      -4.2979      1.00000
      3      -2.9228      1.00000
      4      -1.1035      1.00000
      5       1.1656      1.00000
      6       2.0814      1.00000
      7       2.2451      1.00000
      8       2.9983      0.98939
      9       3.4711     -0.02458
     10       4.2404     -0.00000
     11       4.4954     -0.00000
     12       4.8639     -0.00000
     13       6.1934     -0.00000
     14       6.8391     -0.00000
     15       7.2837     -0.00000
     16       8.6924      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2413     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2422     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42068
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2419     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2438     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42068
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2419     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1711      1.00000
      2      -2.2041      1.00000
      3      -0.8640      1.00000
      4      -0.6698      1.00000
      5       0.2039      1.00000
      6       0.8153      1.00000
      7       1.7380      1.00000
      8       1.8311      1.00000
      9       2.5804      1.00017
     10       3.1763      0.42069
     11       4.1411     -0.00000
     12       4.6676     -0.00000
     13       6.0534     -0.00000
     14       6.1480     -0.00000
     15       6.3728     -0.00000
     16       8.2430     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8904      1.00000
      2      -0.8884      1.00000
      3      -0.8625      1.00000
      4      -0.0125      1.00000
      5       0.0899      1.00000
      6       0.0941      1.00000
      7       1.1050      1.00000
      8       1.1110      1.00000
      9       1.7987      1.00000
     10       2.6603      1.00124
     11       4.0785     -0.00000
     12       4.0809     -0.00000
     13       5.9964     -0.00000
     14       6.0044     -0.00000
     15       6.0933     -0.00000
     16       8.0162     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468  -0.000
  0.000   0.000   0.000   0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.981 -61.945   0.000  -0.160  -0.000  -0.000  -0.010   0.000
-61.945  33.085  -0.000   0.077   0.000   0.000   0.007  -0.000
  0.000  -0.000   2.068  -0.000  -0.000  -0.321   0.000   0.000
 -0.160   0.077  -0.000   1.696   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.068   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.010   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.1096: real time    427.1948
    FORNL :  cpu time      0.4986: real time      0.5046
    FORCOR:  cpu time      1.9576: real time      1.9694
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.326E-05 -.378E-05 0.182E+03   0.429E-13 0.285E-13 -.181E+03   -.387E-05 0.424E-05 -.106E+01
   -.854E-06 0.267E-05 0.928E+02   0.505E-14 0.147E-14 -.927E+02   0.120E-05 -.202E-05 -.957E-01
   -.135E-05 -.251E-05 -.264E+00   -.154E-12 -.851E-13 0.247E+00   0.742E-07 0.158E-05 0.335E-01
   -.143E-05 0.470E-05 -.930E+02   0.141E-12 0.840E-13 0.929E+02   0.239E-05 -.630E-05 0.126E+00
   -.709E-05 -.317E-06 -.182E+03   -.447E-13 -.257E-13 0.181E+03   0.858E-05 -.161E-06 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.791E-05 0.875E-06 -.734E-02   -.971E-14 0.313E-14 0.568E-13   0.838E-05 -.266E-05 0.173E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000001     -0.026293
      0.00000      0.00000      2.36687         0.000000      0.000001     -0.016738
      1.42873      0.82488      4.67016        -0.000002     -0.000001      0.014190
      2.85746      1.64976      6.97882         0.000001     -0.000001      0.026676
      0.00000      0.00000      9.35681         0.000001     -0.000000      0.002165
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000002      0.011220


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90370368 eV

  energy  without entropy=      -13.89616436  energy(sigma->0) =      -13.90119057
 
 d Force =-0.3007106E-03[-0.347E-03,-0.254E-03]  d Energy =-0.2846996E-03-0.160E-04
 d Force =-0.2242224E+01[-0.224E+01,-0.224E+01]  d Ewald  =-0.2242224E+01 0.130E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9531: real time      1.9647


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.578E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.3696
 eigenvalue spectrum of G is  4.3696


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.1909
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9535: real time      1.9657
    EDDIAG:  cpu time    584.7254: real time    589.7020
    CHARGE:  cpu time      0.2620: real time      0.2641
 writing wavefunctions
     LOOP+:  cpu time   8680.3766: real time   8754.1796


--------------------------------------- Iteration     33(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7303
    SETDIJ:  cpu time      1.2276: real time      1.2330
    TRIAL :  cpu time    590.4397: real time    595.5232
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    592.6692: real time    597.7670

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4604164E-02  (-0.2092544E-02)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009785 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -702.02777252
  -exchange      EXHF   =        33.27017901
  -V(xc)+E(xc)   XCENC  =       -83.54789732
  PAW double counting   =    100825.43961401  -100724.48082320
  entropy T*S    EENTRO =        -0.00717362
  eigenvalues    EBANDS =       -35.00878070
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89909170 eV

  energy without entropy =      -13.89191808  energy(sigma->0) =      -13.89670049
  exchange ACFDT corr.  =        -0.00659065  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7271
    SETDIJ:  cpu time      1.2279: real time      1.2333
    TRIAL :  cpu time    586.2773: real time    591.3501
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2629: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time    588.4940: real time    593.5804

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1592872E-02  (-0.2124552E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009798 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.90578365
  -exchange      EXHF   =        33.26856081
  -V(xc)+E(xc)   XCENC  =       -83.54839536
  PAW double counting   =    100812.96743503  -100712.00864143
  entropy T*S    EENTRO =        -0.00715215
  eigenvalues    EBANDS =       -35.13026857
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90068457 eV

  energy without entropy =      -13.89353242  energy(sigma->0) =      -13.89830052
  exchange ACFDT corr.  =        -0.00656297  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2278: real time      1.2331
    TRIAL :  cpu time    588.7822: real time    593.8643
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2644: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    591.0017: real time    596.0973

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1643511E-02  (-0.1196057E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009847 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.82577999
  -exchange      EXHF   =        33.26685809
  -V(xc)+E(xc)   XCENC  =       -83.54891357
  PAW double counting   =    100801.23349603  -100700.27470909
  entropy T*S    EENTRO =        -0.00713047
  eigenvalues    EBANDS =       -35.20970964
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90232808 eV

  energy without entropy =      -13.89519761  energy(sigma->0) =      -13.89995126
  exchange ACFDT corr.  =        -0.00653160  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2278: real time      1.2332
    TRIAL :  cpu time    590.7316: real time    595.8011
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2625: real time      0.2646
    --------------------------------------------
      LOOP:  cpu time    592.9482: real time    598.0311

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9228546E-03  (-0.6131160E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0009903 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.81753225
  -exchange      EXHF   =        33.26581311
  -V(xc)+E(xc)   XCENC  =       -83.54922740
  PAW double counting   =    100797.34402641  -100696.38530605
  entropy T*S    EENTRO =        -0.00710887
  eigenvalues    EBANDS =       -35.21747651
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90325093 eV

  energy without entropy =      -13.89614207  energy(sigma->0) =      -13.90088131
  exchange ACFDT corr.  =        -0.00650252  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2287: real time      1.2341
    TRIAL :  cpu time    590.4493: real time    595.5377
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2644: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    592.6687: real time    597.7707

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4236033E-03  (-0.2729910E-03)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0009917 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.83080166
  -exchange      EXHF   =        33.26541201
  -V(xc)+E(xc)   XCENC  =       -83.54934298
  PAW double counting   =    100803.12573349  -100702.16714181
  entropy T*S    EENTRO =        -0.00708857
  eigenvalues    EBANDS =       -35.20400695
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367454 eV

  energy without entropy =      -13.89658597  energy(sigma->0) =      -13.90131168
  exchange ACFDT corr.  =        -0.00647624  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2291: real time      1.2343
    TRIAL :  cpu time    586.6299: real time    591.6369
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2633: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time    588.8485: real time    593.8689

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1924955E-03  (-0.1138034E-03)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0009888 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.83565197
  -exchange      EXHF   =        33.26535185
  -V(xc)+E(xc)   XCENC  =       -83.54935385
  PAW double counting   =    100817.44532620  -100716.48682953
  entropy T*S    EENTRO =        -0.00706970
  eigenvalues    EBANDS =       -35.19920340
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386703 eV

  energy without entropy =      -13.89679734  energy(sigma->0) =      -13.90151047
  exchange ACFDT corr.  =        -0.00645253  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7282
    SETDIJ:  cpu time      1.2289: real time      1.2344
    TRIAL :  cpu time    586.5219: real time    591.5381
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2629: real time      0.2651
    --------------------------------------------
      LOOP:  cpu time    588.7406: real time    593.7710

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8752820E-04  (-0.7431629E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0009825 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.83643396
  -exchange      EXHF   =        33.26538941
  -V(xc)+E(xc)   XCENC  =       -83.54932924
  PAW double counting   =    100835.65239033  -100734.69386114
  entropy T*S    EENTRO =        -0.00705268
  eigenvalues    EBANDS =       -35.19862249
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90395456 eV

  energy without entropy =      -13.89690188  energy(sigma->0) =      -13.90160367
  exchange ACFDT corr.  =        -0.00643079  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2330: real time      1.2395
    TRIAL :  cpu time    588.9205: real time    593.9886
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    591.1442: real time    596.2270

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5595514E-04  (-0.4901500E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0009749 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.84119212
  -exchange      EXHF   =        33.26541380
  -V(xc)+E(xc)   XCENC  =       -83.54930778
  PAW double counting   =    100855.13694055  -100754.17841331
  entropy T*S    EENTRO =        -0.00703695
  eigenvalues    EBANDS =       -35.19398119
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401052 eV

  energy without entropy =      -13.89697356  energy(sigma->0) =      -13.90166486
  exchange ACFDT corr.  =        -0.00641106  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7277
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    586.5128: real time    591.5573
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2636: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    588.7338: real time    593.7919

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4027074E-04  (-0.3033726E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0009671 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.84505338
  -exchange      EXHF   =        33.26537989
  -V(xc)+E(xc)   XCENC  =       -83.54930906
  PAW double counting   =    100873.19276429  -100772.23424773
  entropy T*S    EENTRO =        -0.00702169
  eigenvalues    EBANDS =       -35.19013006
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90405079 eV

  energy without entropy =      -13.89702910  energy(sigma->0) =      -13.90171022
  exchange ACFDT corr.  =        -0.00639281  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7279
    SETDIJ:  cpu time      1.2324: real time      1.2378
    TRIAL :  cpu time    588.2837: real time    593.3164
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    590.5062: real time    595.5530

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2543141E-04  (-0.1967738E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0009595 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.84139382
  -exchange      EXHF   =        33.26528422
  -V(xc)+E(xc)   XCENC  =       -83.54933544
  PAW double counting   =    100888.98029767  -100788.02173796
  entropy T*S    EENTRO =        -0.00700707
  eigenvalues    EBANDS =       -35.19375143
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90407622 eV

  energy without entropy =      -13.89706915  energy(sigma->0) =      -13.90174053
  exchange ACFDT corr.  =        -0.00637543  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2369: real time      1.2426
    TRIAL :  cpu time    587.4644: real time    592.4936
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    589.6923: real time    594.7355

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1551714E-04  (-0.1058703E-04)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0009525 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.83405369
  -exchange      EXHF   =        33.26516802
  -V(xc)+E(xc)   XCENC  =       -83.54936762
  PAW double counting   =    100903.07391025  -100802.11537957
  entropy T*S    EENTRO =        -0.00699365
  eigenvalues    EBANDS =       -35.20094428
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90409173 eV

  energy without entropy =      -13.89709808  energy(sigma->0) =      -13.90176052
  exchange ACFDT corr.  =        -0.00635922  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     33(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7293
    SETDIJ:  cpu time      1.2361: real time      1.2415
    TRIAL :  cpu time    588.1441: real time    593.1872
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    581.5339: real time    586.4697
    CHARGE:  cpu time      0.2622: real time      0.2643
    --------------------------------------------
      LOOP:  cpu time   1171.9039: real time   1181.8970

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8535571E-05  (-0.5275411E-05)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0009465 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.88219798
  -Hartree energ DENC   =      -701.82985359
  -exchange      EXHF   =        33.26500556
  -V(xc)+E(xc)   XCENC  =       -83.54939150
  PAW double counting   =    100915.41511958  -100814.45656048
  entropy T*S    EENTRO =        -0.00698166
  eigenvalues    EBANDS =       -35.20507545
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410027 eV

  energy without entropy =      -13.89711861  energy(sigma->0) =      -13.90177305
  exchange ACFDT corr.  =        -0.00634471  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9010


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8946       2 -69.7706       3 -69.7649       4 -69.7749       5 -69.8980
 
 
 
 E-fermi :   3.1570     XC(G=0):  -5.1209     alpha+bet : -8.9779

 Fermi energy:         3.1569895188

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8969      1.00000
      2      -9.9635      1.00000
      3      -8.6071      1.00000
      4      -6.7720      1.00000
      5      -4.3247      1.00000
      6      -1.5866      1.00000
      7       1.6434      1.00000
      8       4.6216     -0.00000
      9       5.4030     -0.00000
     10       7.9251     -0.00000
     11       7.9852     -0.00000
     12      11.8875      0.00000
     13      12.1850      0.00000
     14      16.0525      0.00000
     15      16.0573      0.00000
     16      16.0640      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1503     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3164      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1503     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3166      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1503     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3164      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5007      0.00000
     16      12.7604      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5008      0.00000
     16      12.7657      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5010      0.00000
     16      12.7943      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.5954      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.5969      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.6019      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5118      0.00000
     16      10.8186      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5118      0.00000
     16      10.8180      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5118      0.00000
     16      10.8181      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3985      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3939      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3943      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6283      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6264      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6287      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79034
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0408      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0391      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0704      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0619      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0396      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0441      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7029      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7033      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7029      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7028      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7028      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7029      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0398      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0496      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0460      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61720
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61720
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7142      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8318      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7142      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8384      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7142      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8292      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8650      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8559      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7142      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8684      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6673      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6668      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6667      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98524
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6839      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98523
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6855      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98523
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6859      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2330     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2348     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2338     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2338     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41157
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2336     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41157
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2780     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8774      1.00000
      2      -0.8752      1.00000
      3      -0.8475      1.00000
      4      -0.0099      1.00000
      5       0.0856      1.00000
      6       0.0891      1.00000
      7       1.1044      1.00000
      8       1.1075      1.00000
      9       1.7986      1.00000
     10       2.6662      1.00143
     11       4.0813     -0.00000
     12       4.0846     -0.00000
     13       5.9881     -0.00000
     14       5.9944     -0.00000
     15       6.0759     -0.00000
     16       8.0147     -0.00000
 Fermi energy:         3.1569895188

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8969      1.00000
      2      -9.9635      1.00000
      3      -8.6071      1.00000
      4      -6.7720      1.00000
      5      -4.3247      1.00000
      6      -1.5866      1.00000
      7       1.6434      1.00000
      8       4.6216     -0.00000
      9       5.4030     -0.00000
     10       7.9251     -0.00000
     11       7.9852     -0.00000
     12      11.8875      0.00000
     13      12.1850      0.00000
     14      16.0546      0.00000
     15      16.0600      0.00000
     16      16.0818      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1502     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3164      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1502     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3164      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6885      1.00000
      2      -9.7545      1.00000
      3      -8.3970      1.00000
      4      -6.5602      1.00000
      5      -4.1087      1.00000
      6      -1.3766      1.00000
      7       1.8568      1.00000
      8       4.8046     -0.00000
      9       5.5773     -0.00000
     10       8.0930     -0.00000
     11       8.1502     -0.00000
     12      12.0167      0.00000
     13      12.2795      0.00000
     14      13.1171      0.00000
     15      13.8742      0.00000
     16      14.3164      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5011      0.00000
     16      12.7808      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5007      0.00000
     16      12.7606      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0632      1.00000
      2      -9.1270      1.00000
      3      -7.7664      1.00000
      4      -5.9249      1.00000
      5      -3.4622      1.00000
      6      -0.7477      1.00000
      7       2.4822      1.00001
      8       5.3368     -0.00000
      9       6.0952     -0.00000
     10       8.4758     -0.00000
     11       8.6237      0.00000
     12       9.7238      0.00000
     13      10.2927      0.00000
     14      11.3886      0.00000
     15      12.5008      0.00000
     16      12.7693      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.5959      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.6008      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0204      1.00000
      2      -8.0803      1.00000
      3      -6.7142      1.00000
      4      -4.8661      1.00000
      5      -2.3910      1.00000
      6       0.2892      1.00000
      7       3.4358     -0.03148
      8       5.6419     -0.00000
      9       6.5361     -0.00000
     10       6.8862     -0.00000
     11       7.0418     -0.00000
     12       8.0754     -0.00000
     13       9.3956      0.00000
     14       9.5738      0.00000
     15       9.8024      0.00000
     16      11.5977      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5118      0.00000
     16      10.8182      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5119      0.00000
     16      10.8194      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5581      1.00000
      2      -6.6118      1.00000
      3      -5.2389      1.00000
      4      -3.3876      1.00000
      5      -0.9257      1.00000
      6       1.5778      1.00000
      7       2.5391      1.00006
      8       3.5482     -0.00903
      9       4.8151     -0.00000
     10       5.1501     -0.00000
     11       6.5093     -0.00000
     12       7.6431     -0.00000
     13       8.2049     -0.00000
     14       8.7189      0.00000
     15      10.5118      0.00000
     16      10.8191      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3944      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3952      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6726      1.00000
      2      -4.7191      1.00000
      3      -3.3454      1.00000
      4      -1.5338      1.00000
      5      -0.6782      1.00000
      6       0.1399      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6383     -0.00171
     10       3.7414     -0.00014
     11       5.9399     -0.00000
     12       6.7247     -0.00000
     13       8.2369     -0.00000
     14       9.1885      0.00000
     15       9.7436      0.00000
     16      10.3952      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3557      1.00000
      3      -2.4170      1.00000
      4      -2.4147      1.00000
      5      -1.2812      1.00000
      6      -0.8920      1.00000
      7       0.6250      1.00000
      8       1.3686      1.00000
      9       3.3915     -0.03510
     10       3.5352     -0.01090
     11       5.6735     -0.00000
     12       6.0203     -0.00000
     13       8.4239     -0.00000
     14       8.8711      0.00000
     15      10.2264      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6272      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6251      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2716      1.00000
      2      -9.3362      1.00000
      3      -7.9766      1.00000
      4      -6.1367      1.00000
      5      -3.6775      1.00000
      6      -0.9571      1.00000
      7       2.2766      1.00000
      8       5.1639     -0.00000
      9       5.9240     -0.00000
     10       8.4176     -0.00000
     11       8.4586     -0.00000
     12      11.4191      0.00000
     13      11.4351      0.00000
     14      11.8993      0.00000
     15      12.0406      0.00000
     16      12.6646      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4376      1.00000
      2      -8.4992      1.00000
      3      -7.1353      1.00000
      4      -5.2896      1.00000
      5      -2.8182      1.00000
      6      -0.1225      1.00000
      7       3.0801      0.79035
      8       5.8171     -0.00000
      9       6.5924     -0.00000
     10       7.8494     -0.00000
     11       8.6104     -0.00000
     12       8.9979      0.00000
     13       9.4161      0.00000
     14       9.8481      0.00000
     15      10.1770      0.00000
     16      10.7368      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0394      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0414      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0400      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0401      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.1851      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1853      1.00000
      2      -7.2418      1.00000
      3      -5.8716      1.00000
      4      -4.0201      1.00000
      5      -1.5440      1.00000
      6       1.0948      1.00000
      7       3.8148     -0.00001
      8       4.6899     -0.00000
      9       5.4288     -0.00000
     10       6.5180     -0.00000
     11       7.0795     -0.00000
     12       7.6885     -0.00000
     13       8.1700     -0.00000
     14       8.8887      0.00000
     15       9.6175      0.00000
     16      10.0422      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5117      1.00000
      2      -5.5611      1.00000
      3      -4.1855      1.00000
      4      -2.3412      1.00000
      5       0.0239      1.00000
      6       0.9940      1.00000
      7       1.9953      1.00000
      8       2.9937      0.99284
      9       3.5327     -0.01139
     10       5.1820     -0.00000
     11       5.9180     -0.00000
     12       7.3325     -0.00000
     13       7.9804     -0.00000
     14       8.6439      0.00000
     15       9.0963      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7028      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7029      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7029      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7028      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7028      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4593      1.00000
      3      -2.1023      1.00000
      4      -1.9026      1.00000
      5      -1.0198      1.00000
      6      -0.3645      1.00000
      7       0.6474      1.00000
      8       2.2843      1.00000
      9       2.6640      1.00140
     10       4.7447     -0.00000
     11       4.9021     -0.00000
     12       7.0259     -0.00000
     13       7.4939     -0.00000
     14       8.0222     -0.00000
     15       8.8648      0.00000
     16       9.7032      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0433      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0408      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3943      1.00000
      2      -7.4517      1.00000
      3      -6.0824      1.00000
      4      -4.2313      1.00000
      5      -1.7536      1.00000
      6       0.9031      1.00000
      7       3.9735     -0.00000
      8       6.0146     -0.00000
      9       6.4905     -0.00000
     10       7.2366     -0.00000
     11       7.3128     -0.00000
     12       7.5155     -0.00000
     13       7.5955     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0430      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61720
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61720
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9312      1.00000
      2      -5.9823      1.00000
      3      -4.6070      1.00000
      4      -2.7561      1.00000
      5      -0.3059      1.00000
      6       2.1626      1.00000
      7       3.1280      0.61719
      8       4.1224     -0.00000
      9       5.0892     -0.00000
     10       5.3677     -0.00000
     11       5.9189     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7633     -0.00000
     15       8.4060     -0.00000
     16       8.7491      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8434      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8256      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8387      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8481      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8425      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0448      1.00000
      2      -4.0901      1.00000
      3      -2.7171      1.00000
      4      -0.9160      1.00000
      5      -0.0618      1.00000
      6       0.7418      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0697     -0.00000
     10       4.2597     -0.00000
     11       4.8613     -0.00000
     12       5.7463     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5398     -0.00000
     16       8.8687      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6663      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6662      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7297      1.00000
      3      -1.8030      1.00000
      4      -1.7831      1.00000
      5      -0.6671      1.00000
      6      -0.2793      1.00000
      7       1.2251      1.00000
      8       1.9612      1.00000
      9       3.7840     -0.00004
     10       3.9022     -0.00000
     11       4.7212     -0.00000
     12       5.7689     -0.00000
     13       6.3925     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6664      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98523
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6844      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98523
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6839      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2553      1.00000
      2      -4.3010      1.00000
      3      -2.9252      1.00000
      4      -1.0988      1.00000
      5       1.1574      1.00000
      6       2.0934      1.00000
      7       2.2569      1.00000
      8       2.9997      0.98524
      9       3.4668     -0.02518
     10       4.2376     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1978     -0.00000
     14       6.8412     -0.00000
     15       7.2652     -0.00000
     16       8.6844      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41155
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2336     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2343     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2341     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2361     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41157
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2342     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1577      1.00000
      2      -2.2068      1.00000
      3      -0.8657      1.00000
      4      -0.6564      1.00000
      5       0.2028      1.00000
      6       0.8176      1.00000
      7       1.7498      1.00000
      8       1.8328      1.00000
      9       2.5770      1.00017
     10       3.1775      0.41156
     11       4.1354     -0.00000
     12       4.6646     -0.00000
     13       6.0499     -0.00000
     14       6.1466     -0.00000
     15       6.3663     -0.00000
     16       8.2351     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8774      1.00000
      2      -0.8752      1.00000
      3      -0.8475      1.00000
      4      -0.0098      1.00000
      5       0.0856      1.00000
      6       0.0891      1.00000
      7       1.1044      1.00000
      8       1.1075      1.00000
      9       1.7986      1.00000
     10       2.6662      1.00143
     11       4.0813     -0.00000
     12       4.0846     -0.00000
     13       5.9881     -0.00000
     14       5.9944     -0.00000
     15       6.0759     -0.00000
     16       8.0151     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.954 -61.931   0.000  -0.150  -0.000   0.000  -0.011   0.000
-61.931  33.077  -0.000   0.071   0.000  -0.000   0.007  -0.000
  0.000  -0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.150   0.071  -0.000   1.700   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.6342: real time    427.6949
    FORNL :  cpu time      0.4993: real time      0.5053
    FORCOR:  cpu time      1.9632: real time      1.9745
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.675E-06 -.472E-06 0.182E+03   0.432E-13 0.269E-13 -.181E+03   0.133E-05 -.215E-06 -.107E+01
   -.111E-05 -.272E-05 0.924E+02   0.473E-14 0.597E-14 -.923E+02   -.112E-05 0.364E-05 -.646E-01
   0.216E-05 0.397E-06 -.180E+00   -.145E-12 -.843E-13 0.171E+00   -.131E-05 0.204E-05 0.126E-01
   -.360E-05 0.326E-06 -.926E+02   0.132E-12 0.831E-13 0.925E+02   0.292E-05 0.183E-05 0.920E-01
   0.314E-05 0.221E-05 -.182E+03   -.440E-13 -.285E-13 0.181E+03   -.260E-05 -.231E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.667E-06 0.833E-07 -.147E-02   -.971E-14 0.313E-14 -.284E-13   -.784E-06 0.498E-05 -.822E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.031137
      0.00000      0.00000      2.36610        -0.000002     -0.000000      0.004149
      1.42873      0.82488      4.67783         0.000001      0.000001      0.005293
      2.85746      1.64976      6.99234        -0.000001      0.000001      0.007810
      0.00000      0.00000      9.36778         0.000001     -0.000001      0.013886
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000005     -0.010438


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90410027 eV

  energy  without entropy=      -13.89711861  energy(sigma->0) =      -13.90177305
 
 d Force = 0.4005470E-03[ 0.295E-03, 0.506E-03]  d Energy = 0.3965927E-03 0.395E-05
 d Force = 0.3307896E+01[ 0.330E+01, 0.331E+01]  d Ewald  = 0.3307896E+01-0.391E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9550: real time      1.9665


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.144E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.3291
 eigenvalue spectrum of G is  4.3291


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0740
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0851
    POTLOK:  cpu time      1.9536: real time      1.9659
    EDDIAG:  cpu time    584.3428: real time    589.2796
    CHARGE:  cpu time      0.2622: real time      0.2643
 writing wavefunctions
     LOOP+:  cpu time   8683.9939: real time   8757.9865


--------------------------------------- Iteration     34(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7293
    SETDIJ:  cpu time      1.2395: real time      1.2450
    TRIAL :  cpu time    589.4286: real time    594.4265
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2634: real time      0.2656
    --------------------------------------------
      LOOP:  cpu time    591.6691: real time    596.6815

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2340507E-04  (-0.1460393E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009469 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.88868512
  -exchange      EXHF   =        33.26483992
  -V(xc)+E(xc)   XCENC  =       -83.54941940
  PAW double counting   =    100928.81993253  -100827.86134301
  entropy T*S    EENTRO =        -0.00694965
  eigenvalues    EBANDS =       -35.18455930
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406833 eV

  energy without entropy =      -13.89711868  energy(sigma->0) =      -13.90175178
  exchange ACFDT corr.  =        -0.00629074  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     34(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2302: real time      1.2355
    TRIAL :  cpu time    589.5845: real time    594.6016
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    591.8049: real time    596.8356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1221914E-04  (-0.1188456E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009440 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.86808156
  -exchange      EXHF   =        33.26475595
  -V(xc)+E(xc)   XCENC  =       -83.54945026
  PAW double counting   =    100932.34757134  -100831.38899722
  entropy T*S    EENTRO =        -0.00694858
  eigenvalues    EBANDS =       -35.20502183
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90405611 eV

  energy without entropy =      -13.89710753  energy(sigma->0) =      -13.90173992
  exchange ACFDT corr.  =        -0.00628850  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     34(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7274
    SETDIJ:  cpu time      1.2317: real time      1.2370
    TRIAL :  cpu time    587.6720: real time    592.6596
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2631: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time    589.8929: real time    594.8941

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4577595E-04  ( 0.1007153E-05)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009408 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.85677436
  -exchange      EXHF   =        33.26469090
  -V(xc)+E(xc)   XCENC  =       -83.54947349
  PAW double counting   =    100937.53160095  -100836.57301879
  entropy T*S    EENTRO =        -0.00694748
  eigenvalues    EBANDS =       -35.21629564
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410189 eV

  energy without entropy =      -13.89715441  energy(sigma->0) =      -13.90178606
  exchange ACFDT corr.  =        -0.00628635  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     34(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7280
    SETDIJ:  cpu time      1.2324: real time      1.2379
    TRIAL :  cpu time    586.7369: real time    591.7428
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2640: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    588.9606: real time    593.9801

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1870038E-05  (-0.2472541E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009376 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.86221273
  -exchange      EXHF   =        33.26468919
  -V(xc)+E(xc)   XCENC  =       -83.54947394
  PAW double counting   =    100943.68389784  -100842.72532730
  entropy T*S    EENTRO =        -0.00694560
  eigenvalues    EBANDS =       -35.21084272
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410002 eV

  energy without entropy =      -13.89715441  energy(sigma->0) =      -13.90178481
  exchange ACFDT corr.  =        -0.00628458  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     34(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2372: real time      1.2429
    TRIAL :  cpu time    588.6206: real time    593.6842
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2640: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    590.8488: real time    595.9265

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3121968E-06  (-0.1519970E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009344 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.86752909
  -exchange      EXHF   =        33.26470299
  -V(xc)+E(xc)   XCENC  =       -83.54946817
  PAW double counting   =    100949.92488848  -100848.96632431
  entropy T*S    EENTRO =        -0.00694309
  eigenvalues    EBANDS =       -35.20554175
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410033 eV

  energy without entropy =      -13.89715724  energy(sigma->0) =      -13.90178597
  exchange ACFDT corr.  =        -0.00628250  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     34(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7278
    SETDIJ:  cpu time      1.2384: real time      1.2436
    TRIAL :  cpu time    589.9015: real time    595.0235
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    585.5618: real time    590.5136
    CHARGE:  cpu time      0.2632: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time   1177.6910: real time   1187.7786

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6559436E-05  ( 0.1489222E-06)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0009314 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.92073288
  -Hartree energ DENC   =      -701.86514425
  -exchange      EXHF   =        33.26469412
  -V(xc)+E(xc)   XCENC  =       -83.54946808
  PAW double counting   =    100955.77648951  -100854.81792761
  entropy T*S    EENTRO =        -0.00694063
  eigenvalues    EBANDS =       -35.20792937
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410689 eV

  energy without entropy =      -13.89716626  energy(sigma->0) =      -13.90179334
  exchange ACFDT corr.  =        -0.00627998  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8516


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8981       2 -69.7731       3 -69.7644       4 -69.7724       5 -69.8962
 
 
 
 E-fermi :   3.1554     XC(G=0):  -5.1208     alpha+bet : -8.9779

 Fermi energy:         3.1554282768

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8973      1.00000
      2      -9.9634      1.00000
      3      -8.6073      1.00000
      4      -6.7728      1.00000
      5      -4.3250      1.00000
      6      -1.5870      1.00000
      7       1.6424      1.00000
      8       4.6212     -0.00000
      9       5.4036     -0.00000
     10       7.9253     -0.00000
     11       7.9851     -0.00000
     12      11.8871      0.00000
     13      12.1854      0.00000
     14      16.0520      0.00000
     15      16.0567      0.00000
     16      16.0635      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3161      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3162      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3161      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5004      0.00000
     16      12.7600      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5005      0.00000
     16      12.7650      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5007      0.00000
     16      12.7930      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.5953      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.5967      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.6015      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5120      0.00000
     16      10.8185      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5120      0.00000
     16      10.8179      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5119      0.00000
     16      10.8181      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3975      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3936      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3939      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0408      0.00000
     16      12.6276      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0408      0.00000
     16      12.6257      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0408      0.00000
     16      12.6282      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79636
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0407      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0391      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0657      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0584      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0396      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0437      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7032      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0395      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0494      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0459      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61615
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61615
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8312      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8379      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8286      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8644      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8549      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8676      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6667      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6662      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6836      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6851      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6855      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2329     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2346     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40777
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2337     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40777
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2337     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40777
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2335     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2738     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8779      1.00000
      2      -0.8752      1.00000
      3      -0.8479      1.00000
      4      -0.0097      1.00000
      5       0.0858      1.00000
      6       0.0899      1.00000
      7       1.1039      1.00000
      8       1.1085      1.00000
      9       1.7986      1.00000
     10       2.6658      1.00146
     11       4.0819     -0.00000
     12       4.0828     -0.00000
     13       5.9881     -0.00000
     14       5.9941     -0.00000
     15       6.0761     -0.00000
     16       8.0144     -0.00000
 Fermi energy:         3.1554282768

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8973      1.00000
      2      -9.9634      1.00000
      3      -8.6073      1.00000
      4      -6.7728      1.00000
      5      -4.3250      1.00000
      6      -1.5870      1.00000
      7       1.6424      1.00000
      8       4.6212     -0.00000
      9       5.4036     -0.00000
     10       7.9253     -0.00000
     11       7.9851     -0.00000
     12      11.8871      0.00000
     13      12.1854      0.00000
     14      16.0542      0.00000
     15      16.0596      0.00000
     16      16.0791      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3161      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3160      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6889      1.00000
      2      -9.7543      1.00000
      3      -8.3971      1.00000
      4      -6.5611      1.00000
      5      -4.1091      1.00000
      6      -1.3770      1.00000
      7       1.8558      1.00000
      8       4.8042     -0.00000
      9       5.5779     -0.00000
     10       8.0932     -0.00000
     11       8.1501     -0.00000
     12      12.0163      0.00000
     13      12.2798      0.00000
     14      13.1168      0.00000
     15      13.8744      0.00000
     16      14.3161      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5008      0.00000
     16      12.7795      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5004      0.00000
     16      12.7603      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0636      1.00000
      2      -9.1268      1.00000
      3      -7.7665      1.00000
      4      -5.9257      1.00000
      5      -3.4626      1.00000
      6      -0.7482      1.00000
      7       2.4812      1.00001
      8       5.3365     -0.00000
      9       6.0958     -0.00000
     10       8.4759     -0.00000
     11       8.6238      0.00000
     12       9.7235      0.00000
     13      10.2930      0.00000
     14      11.3886      0.00000
     15      12.5005      0.00000
     16      12.7685      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.5958      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.6004      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0208      1.00000
      2      -8.0801      1.00000
      3      -6.7143      1.00000
      4      -4.8669      1.00000
      5      -2.3912      1.00000
      6       0.2889      1.00000
      7       3.4350     -0.03176
      8       5.6417     -0.00000
      9       6.5359     -0.00000
     10       6.8864     -0.00000
     11       7.0423     -0.00000
     12       8.0754     -0.00000
     13       9.3955      0.00000
     14       9.5737      0.00000
     15       9.8022      0.00000
     16      11.5975      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5119      0.00000
     16      10.8182      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5120      0.00000
     16      10.8193      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5585      1.00000
      2      -6.6116      1.00000
      3      -5.2390      1.00000
      4      -3.3883      1.00000
      5      -0.9260      1.00000
      6       1.5776      1.00000
      7       2.5388      1.00006
      8       3.5485     -0.00891
      9       4.8151     -0.00000
     10       5.1497     -0.00000
     11       6.5086     -0.00000
     12       7.6429     -0.00000
     13       8.2055     -0.00000
     14       8.7188      0.00000
     15      10.5120      0.00000
     16      10.8190      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3940      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3947      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6729      1.00000
      2      -4.7188      1.00000
      3      -3.3454      1.00000
      4      -1.5344      1.00000
      5      -0.6785      1.00000
      6       0.1402      1.00000
      7       1.1240      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00170
     10       3.7411     -0.00014
     11       5.9398     -0.00000
     12       6.7244     -0.00000
     13       8.2367     -0.00000
     14       9.1883      0.00000
     15       9.7442      0.00000
     16      10.3946      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3731      1.00000
      2      -3.3560      1.00000
      3      -2.4166      1.00000
      4      -2.4145      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6244      1.00000
      8       1.3680      1.00000
      9       3.3913     -0.03513
     10       3.5352     -0.01092
     11       5.6732     -0.00000
     12       6.0201     -0.00000
     13       8.4238     -0.00000
     14       8.8709      0.00000
     15      10.2261      0.00000
     16      10.5340      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0408      0.00000
     16      12.6267      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0408      0.00000
     16      12.6246      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2720      1.00000
      2      -9.3360      1.00000
      3      -7.9768      1.00000
      4      -6.1375      1.00000
      5      -3.6779      1.00000
      6      -0.9575      1.00000
      7       2.2756      1.00000
      8       5.1636     -0.00000
      9       5.9246     -0.00000
     10       8.4178     -0.00000
     11       8.4585     -0.00000
     12      11.4187      0.00000
     13      11.4347      0.00000
     14      11.8995      0.00000
     15      12.0409      0.00000
     16      12.6629      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4380      1.00000
      2      -8.4990      1.00000
      3      -7.1354      1.00000
      4      -5.2904      1.00000
      5      -2.8185      1.00000
      6      -0.1229      1.00000
      7       3.0792      0.79637
      8       5.8168     -0.00000
      9       6.5929     -0.00000
     10       7.8491     -0.00000
     11       8.6107     -0.00000
     12       8.9980      0.00000
     13       9.4161      0.00000
     14       9.8482      0.00000
     15      10.1768      0.00000
     16      10.7370      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0394      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0411      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0399      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0400      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.1763      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1857      1.00000
      2      -7.2415      1.00000
      3      -5.8716      1.00000
      4      -4.0208      1.00000
      5      -1.5443      1.00000
      6       1.0945      1.00000
      7       3.8143     -0.00002
      8       4.6896     -0.00000
      9       5.4290     -0.00000
     10       6.5180     -0.00000
     11       7.0792     -0.00000
     12       7.6890     -0.00000
     13       8.1694     -0.00000
     14       8.8884      0.00000
     15       9.6177      0.00000
     16      10.0418      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5121      1.00000
      2      -5.5608      1.00000
      3      -4.1855      1.00000
      4      -2.3418      1.00000
      5       0.0237      1.00000
      6       0.9938      1.00000
      7       1.9956      1.00000
      8       2.9936      0.99220
      9       3.5327     -0.01132
     10       5.1814     -0.00000
     11       5.9176     -0.00000
     12       7.3325     -0.00000
     13       7.9803     -0.00000
     14       8.6436      0.00000
     15       9.0969      0.00000
     16       9.1413      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7028      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4140      1.00000
      2      -3.4590      1.00000
      3      -2.1023      1.00000
      4      -1.9029      1.00000
      5      -1.0196      1.00000
      6      -0.3648      1.00000
      7       0.6473      1.00000
      8       2.2840      1.00000
      9       2.6635      1.00139
     10       4.7447     -0.00000
     11       4.9017     -0.00000
     12       7.0257     -0.00000
     13       7.4937     -0.00000
     14       8.0220     -0.00000
     15       8.8650      0.00000
     16       9.7031      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0429      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0406      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3947      1.00000
      2      -7.4514      1.00000
      3      -6.0825      1.00000
      4      -4.2321      1.00000
      5      -1.7539      1.00000
      6       0.9028      1.00000
      7       3.9728     -0.00000
      8       6.0144     -0.00000
      9       6.4903     -0.00000
     10       7.2366     -0.00000
     11       7.3127     -0.00000
     12       7.5158     -0.00000
     13       7.5961     -0.00000
     14       8.3887     -0.00000
     15       8.7497      0.00000
     16      10.0427      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9315      1.00000
      2      -5.9820      1.00000
      3      -4.6071      1.00000
      4      -2.7568      1.00000
      5      -0.3061      1.00000
      6       2.1624      1.00000
      7       3.1276      0.61616
      8       4.1227     -0.00000
      9       5.0888     -0.00000
     10       5.3677     -0.00000
     11       5.9188     -0.00000
     12       6.4975     -0.00000
     13       7.0112     -0.00000
     14       7.7631     -0.00000
     15       8.4057     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8431      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8252      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8383      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8477      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8417      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0451      1.00000
      2      -4.0898      1.00000
      3      -2.7171      1.00000
      4      -0.9166      1.00000
      5      -0.0621      1.00000
      6       0.7422      1.00000
      7       1.7143      1.00000
      8       2.5995      1.00030
      9       4.0694     -0.00000
     10       4.2593     -0.00000
     11       4.8611     -0.00000
     12       5.7465     -0.00000
     13       6.6346     -0.00000
     14       7.4075     -0.00000
     15       7.5396     -0.00000
     16       8.8681      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7474      1.00000
      2      -2.7301      1.00000
      3      -1.8028      1.00000
      4      -1.7826      1.00000
      5      -0.6669      1.00000
      6      -0.2793      1.00000
      7       1.2246      1.00000
      8       1.9607      1.00000
      9       3.7839     -0.00004
     10       3.9020     -0.00000
     11       4.7211     -0.00000
     12       5.7690     -0.00000
     13       6.3922     -0.00000
     14       6.7616     -0.00000
     15       7.1345     -0.00000
     16       8.6658      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6841      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6836      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2556      1.00000
      2      -4.3007      1.00000
      3      -2.9252      1.00000
      4      -1.0994      1.00000
      5       1.1573      1.00000
      6       2.0932      1.00000
      7       2.2567      1.00000
      8       2.9999      0.98389
      9       3.4672     -0.02492
     10       4.2378     -0.00000
     11       4.4921     -0.00000
     12       4.8622     -0.00000
     13       6.1972     -0.00000
     14       6.8406     -0.00000
     15       7.2649     -0.00000
     16       8.6840      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2335     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2341     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2340     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2358     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2341     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1581      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6567      1.00000
      5       0.2031      1.00000
      6       0.8174      1.00000
      7       1.7495      1.00000
      8       1.8327      1.00000
      9       2.5773      1.00017
     10       3.1773      0.40778
     11       4.1351     -0.00000
     12       4.6645     -0.00000
     13       6.0497     -0.00000
     14       6.1463     -0.00000
     15       6.3659     -0.00000
     16       8.2348     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8779      1.00000
      2      -0.8752      1.00000
      3      -0.8479      1.00000
      4      -0.0097      1.00000
      5       0.0858      1.00000
      6       0.0899      1.00000
      7       1.1039      1.00000
      8       1.1085      1.00000
      9       1.7986      1.00000
     10       2.6658      1.00146
     11       4.0819     -0.00000
     12       4.0828     -0.00000
     13       5.9881     -0.00000
     14       5.9941     -0.00000
     15       6.0761     -0.00000
     16       8.0148     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.947 -61.927   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.927  33.076  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.149   0.071  -0.000   1.701   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.067   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.6390: real time    427.7108
    FORNL :  cpu time      0.4978: real time      0.5038
    FORCOR:  cpu time      1.9641: real time      1.9757
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.551E-06 0.175E-06 0.182E+03   0.406E-13 0.252E-13 -.181E+03   -.822E-06 -.321E-06 -.107E+01
   0.967E-06 -.363E-07 0.924E+02   0.273E-14 0.225E-14 -.923E+02   -.221E-05 0.516E-06 -.700E-01
   0.395E-06 -.983E-06 -.177E+00   -.147E-12 -.830E-13 0.176E+00   -.149E-07 0.150E-05 0.155E-01
   -.756E-06 0.392E-06 -.926E+02   0.136E-12 0.807E-13 0.925E+02   0.358E-06 0.140E-06 0.990E-01
   0.111E-05 -.271E-05 -.182E+03   -.420E-13 -.221E-13 0.181E+03   -.105E-05 0.364E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.406E-05 -.252E-05 0.158E-01   -.971E-14 0.313E-14 0.284E-13   -.374E-05 0.548E-05 -.270E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.037227
      0.00000      0.00000      2.36629        -0.000001     -0.000000      0.002183
      1.42873      0.82488      4.67769         0.000001      0.000000      0.011352
      2.85746      1.64976      6.99203         0.000000      0.000000      0.015014
      0.00000      0.00000      9.36782         0.000000      0.000000      0.008679
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000003      0.012908


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90410689 eV

  energy  without entropy=      -13.89716626  energy(sigma->0) =      -13.90179334
 
 d Force =-0.3639273E-05[-0.547E-05,-0.181E-05]  d Energy = 0.6617760E-05-0.103E-04
 d Force =-0.3853490E-01[-0.385E-01,-0.385E-01]  d Ewald  =-0.3853490E-01-0.739E-12


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9573: real time      1.9687


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.210E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.9584
 eigenvalue spectrum of G is  2.4520  3.4648


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0465
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0843
    POTLOK:  cpu time      1.9559: real time      1.9679
    EDDIAG:  cpu time    583.1240: real time    588.0424
    CHARGE:  cpu time      0.2634: real time      0.2656
 writing wavefunctions
     LOOP+:  cpu time   5146.3021: real time   5189.8288


--------------------------------------- Iteration     35(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2386: real time      1.2440
    TRIAL :  cpu time    588.0050: real time    593.0059
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2638: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    590.2444: real time    595.2598

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8940623E-03  (-0.2932069E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009244 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.44959047
  -exchange      EXHF   =        33.26690070
  -V(xc)+E(xc)   XCENC  =       -83.54874072
  PAW double counting   =    100970.68721578  -100869.72888348
  entropy T*S    EENTRO =        -0.00701447
  eigenvalues    EBANDS =       -35.22883410
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90320627 eV

  energy without entropy =      -13.89619179  energy(sigma->0) =      -13.90086811
  exchange ACFDT corr.  =        -0.00634734  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2427: real time      1.2480
    TRIAL :  cpu time    586.5087: real time    591.5486
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2662: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    588.7442: real time    593.7975

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2320265E-03  (-0.2369577E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009214 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.44072898
  -exchange      EXHF   =        33.26708725
  -V(xc)+E(xc)   XCENC  =       -83.54868669
  PAW double counting   =    100972.85759611  -100871.89926498
  entropy T*S    EENTRO =        -0.00701881
  eigenvalues    EBANDS =       -35.23769992
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90297424 eV

  energy without entropy =      -13.89595543  energy(sigma->0) =      -13.90063463
  exchange ACFDT corr.  =        -0.00635094  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2388: real time      1.2441
    TRIAL :  cpu time    590.1490: real time    595.1829
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2633: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    592.3783: real time    597.4257

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9313543E-03  ( 0.1736711E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009179 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.45829487
  -exchange      EXHF   =        33.26739731
  -V(xc)+E(xc)   XCENC  =       -83.54859224
  PAW double counting   =    100976.66480156  -100875.70644677
  entropy T*S    EENTRO =        -0.00702331
  eigenvalues    EBANDS =       -35.22148923
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90390559 eV

  energy without entropy =      -13.89688229  energy(sigma->0) =      -13.90156449
  exchange ACFDT corr.  =        -0.00635702  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2372: real time      1.2426
    TRIAL :  cpu time    587.0233: real time    592.0295
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2643: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    589.2511: real time    594.2710

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3785036E-04  (-0.5132689E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009148 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.47290127
  -exchange      EXHF   =        33.26762148
  -V(xc)+E(xc)   XCENC  =       -83.54852407
  PAW double counting   =    100980.37626082  -100879.41788748
  entropy T*S    EENTRO =        -0.00702832
  eigenvalues    EBANDS =       -35.20715137
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90386774 eV

  energy without entropy =      -13.89683942  energy(sigma->0) =      -13.90152497
  exchange ACFDT corr.  =        -0.00636282  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7275
    SETDIJ:  cpu time      1.2400: real time      1.2454
    TRIAL :  cpu time    588.4160: real time    593.4120
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    590.6468: real time    595.6563

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1646548E-04  (-0.2995283E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009122 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.47405749
  -exchange      EXHF   =        33.26771469
  -V(xc)+E(xc)   XCENC  =       -83.54849958
  PAW double counting   =    100983.29107015  -100882.33268685
  entropy T*S    EENTRO =        -0.00703215
  eigenvalues    EBANDS =       -35.20613425
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90388421 eV

  energy without entropy =      -13.89685206  energy(sigma->0) =      -13.90154016
  exchange ACFDT corr.  =        -0.00636802  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2362: real time      1.2417
    TRIAL :  cpu time    587.0127: real time    592.0427
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2628: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    589.2385: real time    594.2834

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1318518E-03  ( 0.2889575E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009098 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.47361964
  -exchange      EXHF   =        33.26774685
  -V(xc)+E(xc)   XCENC  =       -83.54849372
  PAW double counting   =    100985.99474704  -100885.03635237
  entropy T*S    EENTRO =        -0.00703540
  eigenvalues    EBANDS =       -35.20674951
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401606 eV

  energy without entropy =      -13.89698066  energy(sigma->0) =      -13.90167093
  exchange ACFDT corr.  =        -0.00637213  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2332: real time      1.2385
    TRIAL :  cpu time    589.0778: real time    594.1150
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2633: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    591.3009: real time    596.3516

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1252089E-04  (-0.8470271E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009076 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.46985248
  -exchange      EXHF   =        33.26773560
  -V(xc)+E(xc)   XCENC  =       -83.54849971
  PAW double counting   =    100988.45561106  -100887.49722634
  entropy T*S    EENTRO =        -0.00703848
  eigenvalues    EBANDS =       -35.21047371
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90400354 eV

  energy without entropy =      -13.89696506  energy(sigma->0) =      -13.90165738
  exchange ACFDT corr.  =        -0.00637549  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7283
    SETDIJ:  cpu time      1.2378: real time      1.2433
    TRIAL :  cpu time    589.4887: real time    594.6198
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2633: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time    591.7172: real time    596.8618

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9118827E-05  (-0.3758348E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009058 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.46651041
  -exchange      EXHF   =        33.26771798
  -V(xc)+E(xc)   XCENC  =       -83.54850599
  PAW double counting   =    100990.60848844  -100889.65011348
  entropy T*S    EENTRO =        -0.00704101
  eigenvalues    EBANDS =       -35.21378815
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401266 eV

  energy without entropy =      -13.89697165  energy(sigma->0) =      -13.90166566
  exchange ACFDT corr.  =        -0.00637859  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2354: real time      1.2417
    TRIAL :  cpu time    588.8046: real time    593.8496
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    591.0309: real time    596.0904

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1860062E-04  (-0.1028917E-05)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009041 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.46773105
  -exchange      EXHF   =        33.26772534
  -V(xc)+E(xc)   XCENC  =       -83.54850389
  PAW double counting   =    100992.68443868  -100891.72605954
  entropy T*S    EENTRO =        -0.00704323
  eigenvalues    EBANDS =       -35.21259724
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90403126 eV

  energy without entropy =      -13.89698803  energy(sigma->0) =      -13.90168352
  exchange ACFDT corr.  =        -0.00638145  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2328: real time      1.2383
    TRIAL :  cpu time    592.8111: real time    597.8698
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2630: real time      0.2652
    --------------------------------------------
      LOOP:  cpu time    595.0338: real time    600.1061

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1749315E-05  (-0.1385697E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009024 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.46853339
  -exchange      EXHF   =        33.26774009
  -V(xc)+E(xc)   XCENC  =       -83.54849989
  PAW double counting   =    100994.65425530  -100893.69585932
  entropy T*S    EENTRO =        -0.00704531
  eigenvalues    EBANDS =       -35.21182652
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402951 eV

  energy without entropy =      -13.89698420  energy(sigma->0) =      -13.90168107
  exchange ACFDT corr.  =        -0.00638403  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     35(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7280
    SETDIJ:  cpu time      1.2333: real time      1.2387
    TRIAL :  cpu time    592.8330: real time    597.8518
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    592.9405: real time    597.9211
    CHARGE:  cpu time      0.2634: real time      0.2655
    --------------------------------------------
      LOOP:  cpu time   1187.9965: real time   1198.0098

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2767410E-05  (-0.4788496E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009007 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       404.52435320
  -Hartree energ DENC   =      -702.46817043
  -exchange      EXHF   =        33.26777216
  -V(xc)+E(xc)   XCENC  =       -83.54849644
  PAW double counting   =    100996.74195095  -100895.78356258
  entropy T*S    EENTRO =        -0.00704720
  eigenvalues    EBANDS =       -35.21220014
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90403228 eV

  energy without entropy =      -13.89698508  energy(sigma->0) =      -13.90168321
  exchange ACFDT corr.  =        -0.00638639  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9861


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9048       2 -69.7773       3 -69.7630       4 -69.7663       5 -69.8892
 
 
 
 E-fermi :   3.1553     XC(G=0):  -5.1203     alpha+bet : -8.9779

 Fermi energy:         3.1552643344

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8997      1.00000
      2      -9.9631      1.00000
      3      -8.6070      1.00000
      4      -6.7733      1.00000
      5      -4.3227      1.00000
      6      -1.5860      1.00000
      7       1.6468      1.00000
      8       4.6230     -0.00000
      9       5.4038     -0.00000
     10       7.9255     -0.00000
     11       7.9865     -0.00000
     12      11.8874      0.00000
     13      12.1866      0.00000
     14      16.0492      0.00000
     15      16.0539      0.00000
     16      16.0611      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3137      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5010      0.00000
     16      12.7596      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5011      0.00000
     16      12.7645      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5012      0.00000
     16      12.7905      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.5967      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.5979      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.6019      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8189      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8185      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8187      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3937      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3910      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3912      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6273      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6255      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6282      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78602
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0420      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0408      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6892     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0593      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6892     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0541      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6892     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0411      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0443      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7040      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7044      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7040      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7039      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7039      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7040      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0396      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0490      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0454      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8308      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8378      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8280      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8644      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8535      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8668      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6661      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6656      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6848      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6862      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6865      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2342     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2354     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2348     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2347     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2346     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2657     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8813      1.00000
      2      -0.8774      1.00000
      3      -0.8510      1.00000
      4      -0.0105      1.00000
      5       0.0851      1.00000
      6       0.0912      1.00000
      7       1.1021      1.00000
      8       1.1104      1.00000
      9       1.7985      1.00000
     10       2.6649      1.00143
     11       4.0795     -0.00000
     12       4.0842     -0.00000
     13       5.9899     -0.00000
     14       5.9953     -0.00000
     15       6.0790     -0.00000
     16       8.0145     -0.00000
 Fermi energy:         3.1552643344

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8997      1.00000
      2      -9.9631      1.00000
      3      -8.6070      1.00000
      4      -6.7733      1.00000
      5      -4.3227      1.00000
      6      -1.5860      1.00000
      7       1.6468      1.00000
      8       4.6230     -0.00000
      9       5.4038     -0.00000
     10       7.9255     -0.00000
     11       7.9865     -0.00000
     12      11.8874      0.00000
     13      12.1866      0.00000
     14      16.0517      0.00000
     15      16.0571      0.00000
     16      16.0721      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6913      1.00000
      2      -9.7540      1.00000
      3      -8.3969      1.00000
      4      -6.5615      1.00000
      5      -4.1068      1.00000
      6      -1.3760      1.00000
      7       1.8602      1.00000
      8       4.8060     -0.00000
      9       5.5782     -0.00000
     10       8.0933     -0.00000
     11       8.1515     -0.00000
     12      12.0164      0.00000
     13      12.2807      0.00000
     14      13.1149      0.00000
     15      13.8745      0.00000
     16      14.3136      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5013      0.00000
     16      12.7779      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5010      0.00000
     16      12.7600      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0660      1.00000
      2      -9.1266      1.00000
      3      -7.7663      1.00000
      4      -5.9262      1.00000
      5      -3.4603      1.00000
      6      -0.7472      1.00000
      7       2.4854      1.00001
      8       5.3381     -0.00000
      9       6.0961     -0.00000
     10       8.4759     -0.00000
     11       8.6245      0.00000
     12       9.7218      0.00000
     13      10.2929      0.00000
     14      11.3889      0.00000
     15      12.5011      0.00000
     16      12.7676      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.5971      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.6010      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0233      1.00000
      2      -8.0798      1.00000
      3      -6.7141      1.00000
      4      -4.8675      1.00000
      5      -2.3890      1.00000
      6       0.2897      1.00000
      7       3.4386     -0.03125
      8       5.6407     -0.00000
      9       6.5359     -0.00000
     10       6.8868     -0.00000
     11       7.0424     -0.00000
     12       8.0756     -0.00000
     13       9.3954      0.00000
     14       9.5739      0.00000
     15       9.8029      0.00000
     16      11.5985      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8189      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8199      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5611      1.00000
      2      -6.6114      1.00000
      3      -5.2388      1.00000
      4      -3.3889      1.00000
      5      -0.9239      1.00000
      6       1.5778      1.00000
      7       2.5364      1.00005
      8       3.5486     -0.00891
      9       4.8155     -0.00000
     10       5.1528     -0.00000
     11       6.5078     -0.00000
     12       7.6442     -0.00000
     13       8.2057     -0.00000
     14       8.7207      0.00000
     15      10.5123      0.00000
     16      10.8196      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3913      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3917      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6756      1.00000
      2      -4.7187      1.00000
      3      -3.3452      1.00000
      4      -1.5352      1.00000
      5      -0.6815      1.00000
      6       0.1407      1.00000
      7       1.1251      1.00000
      8       2.0288      1.00000
      9       3.6372     -0.00172
     10       3.7416     -0.00014
     11       5.9415     -0.00000
     12       6.7276     -0.00000
     13       8.2376     -0.00000
     14       9.1894      0.00000
     15       9.7443      0.00000
     16      10.3917      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3759      1.00000
      2      -3.3590      1.00000
      3      -2.4164      1.00000
      4      -2.4146      1.00000
      5      -1.2810      1.00000
      6      -0.8920      1.00000
      7       0.6236      1.00000
      8       1.3674      1.00000
      9       3.3929     -0.03524
     10       3.5375     -0.01058
     11       5.6734     -0.00000
     12       6.0210     -0.00000
     13       8.4270     -0.00000
     14       8.8730      0.00000
     15      10.2235      0.00000
     16      10.5342      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6267      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6246      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2745      1.00000
      2      -9.3358      1.00000
      3      -7.9765      1.00000
      4      -6.1380      1.00000
      5      -3.6756      1.00000
      6      -0.9565      1.00000
      7       2.2799      1.00000
      8       5.1653     -0.00000
      9       5.9249     -0.00000
     10       8.4179     -0.00000
     11       8.4598     -0.00000
     12      11.4159      0.00000
     13      11.4323      0.00000
     14      11.8996      0.00000
     15      12.0415      0.00000
     16      12.6594      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4405      1.00000
      2      -8.4987      1.00000
      3      -7.1352      1.00000
      4      -5.2909      1.00000
      5      -2.8163      1.00000
      6      -0.1220      1.00000
      7       3.0832      0.78601
      8       5.8183     -0.00000
      9       6.5931     -0.00000
     10       7.8467     -0.00000
     11       8.6112     -0.00000
     12       8.9979      0.00000
     13       9.4162      0.00000
     14       9.8486      0.00000
     15      10.1751      0.00000
     16      10.7369      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0410      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6892     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0423      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0414      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0415      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.1633      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1883      1.00000
      2      -7.2413      1.00000
      3      -5.8714      1.00000
      4      -4.0214      1.00000
      5      -1.5421      1.00000
      6       1.0952      1.00000
      7       3.8144     -0.00002
      8       4.6898     -0.00000
      9       5.4298     -0.00000
     10       6.5181     -0.00000
     11       7.0802     -0.00000
     12       7.6893     -0.00000
     13       8.1687     -0.00000
     14       8.8861      0.00000
     15       9.6181      0.00000
     16      10.0430      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5148      1.00000
      2      -5.5607      1.00000
      3      -4.1853      1.00000
      4      -2.3426      1.00000
      5       0.0252      1.00000
      6       0.9912      1.00000
      7       1.9956      1.00000
      8       2.9942      0.99156
      9       3.5328     -0.01133
     10       5.1806     -0.00000
     11       5.9205     -0.00000
     12       7.3337     -0.00000
     13       7.9797     -0.00000
     14       8.6439      0.00000
     15       9.0971      0.00000
     16       9.1419      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7039      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7040      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7040      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7039      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7039      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4168      1.00000
      2      -3.4588      1.00000
      3      -2.1022      1.00000
      4      -1.9059      1.00000
      5      -1.0197      1.00000
      6      -0.3653      1.00000
      7       0.6472      1.00000
      8       2.2843      1.00000
      9       2.6643      1.00141
     10       4.7464     -0.00000
     11       4.9024     -0.00000
     12       7.0257     -0.00000
     13       7.4942     -0.00000
     14       8.0224     -0.00000
     15       8.8661      0.00000
     16       9.7042      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0427      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0406      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3973      1.00000
      2      -7.4512      1.00000
      3      -6.0823      1.00000
      4      -4.2327      1.00000
      5      -1.7517      1.00000
      6       0.9036      1.00000
      7       3.9758     -0.00000
      8       6.0133     -0.00000
      9       6.4882     -0.00000
     10       7.2359     -0.00000
     11       7.3126     -0.00000
     12       7.5163     -0.00000
     13       7.5966     -0.00000
     14       8.3889     -0.00000
     15       8.7497      0.00000
     16      10.0427      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9342      1.00000
      2      -5.9818      1.00000
      3      -4.6069      1.00000
      4      -2.7575      1.00000
      5      -0.3042      1.00000
      6       2.1625      1.00000
      7       3.1252      0.62553
      8       4.1228     -0.00000
      9       5.0881     -0.00000
     10       5.3677     -0.00000
     11       5.9192     -0.00000
     12       6.4983     -0.00000
     13       7.0111     -0.00000
     14       7.7633     -0.00000
     15       8.4067     -0.00000
     16       8.7499      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8434      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8252      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8382      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8479      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8406      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0479      1.00000
      2      -4.0897      1.00000
      3      -2.7170      1.00000
      4      -0.9174      1.00000
      5      -0.0651      1.00000
      6       0.7426      1.00000
      7       1.7153      1.00000
      8       2.6000      1.00031
      9       4.0691     -0.00000
     10       4.2589     -0.00000
     11       4.8590     -0.00000
     12       5.7469     -0.00000
     13       6.6358     -0.00000
     14       7.4083     -0.00000
     15       7.5428     -0.00000
     16       8.8678      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6653      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7503      1.00000
      2      -2.7330      1.00000
      3      -1.8030      1.00000
      4      -1.7822      1.00000
      5      -0.6668      1.00000
      6      -0.2793      1.00000
      7       1.2237      1.00000
      8       1.9601      1.00000
      9       3.7852     -0.00004
     10       3.9026     -0.00000
     11       4.7202     -0.00000
     12       5.7692     -0.00000
     13       6.3924     -0.00000
     14       6.7625     -0.00000
     15       7.1347     -0.00000
     16       8.6654      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6853      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6849      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2583      1.00000
      2      -4.3005      1.00000
      3      -2.9250      1.00000
      4      -1.1002      1.00000
      5       1.1585      1.00000
      6       2.0905      1.00000
      7       2.2543      1.00000
      8       2.9994      0.98479
      9       3.4676     -0.02486
     10       4.2381     -0.00000
     11       4.4924     -0.00000
     12       4.8623     -0.00000
     13       6.1965     -0.00000
     14       6.8403     -0.00000
     15       7.2681     -0.00000
     16       8.6852      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2346     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2351     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2349     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2365     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2350     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1609      1.00000
      2      -2.2064      1.00000
      3      -0.8656      1.00000
      4      -0.6596      1.00000
      5       0.2030      1.00000
      6       0.8169      1.00000
      7       1.7470      1.00000
      8       1.8322      1.00000
      9       2.5776      1.00017
     10       3.1771      0.40860
     11       4.1360     -0.00000
     12       4.6649     -0.00000
     13       6.0503     -0.00000
     14       6.1465     -0.00000
     15       6.3670     -0.00000
     16       8.2356     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8813      1.00000
      2      -0.8774      1.00000
      3      -0.8510      1.00000
      4      -0.0105      1.00000
      5       0.0851      1.00000
      6       0.0912      1.00000
      7       1.1021      1.00000
      8       1.1104      1.00000
      9       1.7985      1.00000
     10       2.6649      1.00143
     11       4.0795     -0.00000
     12       4.0842     -0.00000
     13       5.9899     -0.00000
     14       5.9953     -0.00000
     15       6.0790     -0.00000
     16       8.0149     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.766   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.766   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.955 -61.931  -0.000  -0.150   0.000   0.000  -0.011  -0.000
-61.931  33.078   0.000   0.071  -0.000  -0.000   0.007   0.000
 -0.000   0.000   2.067  -0.000  -0.000  -0.321   0.000   0.000
 -0.150   0.071  -0.000   1.701  -0.000   0.000  -0.261   0.000
  0.000  -0.000  -0.000  -0.000   2.067   0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000   0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.1965: real time    427.2453
    FORNL :  cpu time      0.4978: real time      0.5038
    FORCOR:  cpu time      1.9513: real time      1.9628
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.412E-05 -.380E-05 0.182E+03   0.388E-13 0.227E-13 -.181E+03   -.490E-05 0.403E-05 -.107E+01
   0.105E-05 0.952E-06 0.925E+02   0.892E-14 0.812E-14 -.924E+02   -.943E-06 -.533E-06 -.731E-01
   0.984E-06 -.171E-05 -.202E+00   -.150E-12 -.858E-13 0.191E+00   -.192E-05 0.131E-05 0.208E-01
   0.943E-06 0.105E-05 -.927E+02   0.137E-12 0.819E-13 0.926E+02   -.901E-06 -.182E-05 0.107E+00
   0.185E-05 -.487E-05 -.182E+03   -.437E-13 -.238E-13 0.181E+03   -.185E-05 0.544E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.102E-04 -.840E-05 -.496E-02   -.971E-14 0.313E-14 0.284E-13   -.105E-04 0.842E-05 0.108E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.033574
      0.00000      0.00000      2.36618        -0.000000      0.000000     -0.003467
      1.42873      0.82488      4.67617        -0.000001     -0.000000      0.008699
      2.85746      1.64976      6.98953         0.000001     -0.000000      0.016076
      0.00000      0.00000      9.36570        -0.000000      0.000000      0.012266
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000000      0.006849


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90403228 eV

  energy  without entropy=      -13.89698508  energy(sigma->0) =      -13.90168321
 
 d Force =-0.7614659E-04[-0.789E-04,-0.734E-04]  d Energy =-0.7461035E-04-0.154E-05
 d Force =-0.6036203E+00[-0.604E+00,-0.603E+00]  d Ewald  =-0.6036203E+00 0.183E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9508: real time      1.9625


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.240E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.5884
 eigenvalue spectrum of G is  1.5884  1.5884


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0768
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9511: real time      1.9632
    EDDIAG:  cpu time    588.5333: real time    593.4531
    CHARGE:  cpu time      0.2633: real time      0.2655
 writing wavefunctions
     LOOP+:  cpu time   8117.9581: real time   8186.7423


--------------------------------------- Iteration     36(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2285: real time      1.2338
    TRIAL :  cpu time    589.3051: real time    594.3251
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2648: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    591.5350: real time    596.5695

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3791421E-03  (-0.2229908E-03)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009267 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.54948757
  -exchange      EXHF   =        33.26423006
  -V(xc)+E(xc)   XCENC  =       -83.54963046
  PAW double counting   =    100964.32098908  -100863.36232228
  entropy T*S    EENTRO =        -0.00691631
  eigenvalues    EBANDS =       -35.11004540
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90365037 eV

  energy without entropy =      -13.89673406  energy(sigma->0) =      -13.90134493
  exchange ACFDT corr.  =        -0.00626674  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2292: real time      1.2346
    TRIAL :  cpu time    590.2030: real time    595.2438
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2628: real time      0.2649
    --------------------------------------------
      LOOP:  cpu time    592.4218: real time    597.4763

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1651937E-03  (-0.2238151E-03)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009290 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.47622323
  -exchange      EXHF   =        33.26357730
  -V(xc)+E(xc)   XCENC  =       -83.54983970
  PAW double counting   =    100961.23411307  -100860.27542153
  entropy T*S    EENTRO =        -0.00690878
  eigenvalues    EBANDS =       -35.18264538
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381556 eV

  energy without entropy =      -13.89690678  energy(sigma->0) =      -13.90151264
  exchange ACFDT corr.  =        -0.00625664  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7284
    SETDIJ:  cpu time      1.2298: real time      1.2351
    TRIAL :  cpu time    588.4824: real time    593.5518
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    590.7045: real time    595.7873

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1700688E-03  (-0.1230024E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009322 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.43636380
  -exchange      EXHF   =        33.26295135
  -V(xc)+E(xc)   XCENC  =       -83.55003589
  PAW double counting   =    100958.39090655  -100857.43216256
  entropy T*S    EENTRO =        -0.00690241
  eigenvalues    EBANDS =       -35.22191273
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90398563 eV

  energy without entropy =      -13.89708322  energy(sigma->0) =      -13.90168483
  exchange ACFDT corr.  =        -0.00624632  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7275
    SETDIJ:  cpu time      1.2278: real time      1.2331
    TRIAL :  cpu time    588.8369: real time    593.8620
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2631: real time      0.2652
    --------------------------------------------
      LOOP:  cpu time    591.0538: real time    596.0926

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9302879E-04  (-0.6043945E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009354 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.44221353
  -exchange      EXHF   =        33.26263001
  -V(xc)+E(xc)   XCENC  =       -83.55013186
  PAW double counting   =    100957.64186323  -100856.68314419
  entropy T*S    EENTRO =        -0.00689555
  eigenvalues    EBANDS =       -35.21572013
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90407866 eV

  energy without entropy =      -13.89718311  energy(sigma->0) =      -13.90178014
  exchange ACFDT corr.  =        -0.00623815  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7210: real time      0.7271
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    586.1667: real time    591.1745
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    588.3881: real time    593.4095

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3982586E-04  (-0.2560470E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009371 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.45363631
  -exchange      EXHF   =        33.26254504
  -V(xc)+E(xc)   XCENC  =       -83.55015630
  PAW double counting   =    100959.00403828  -100858.04534148
  entropy T*S    EENTRO =        -0.00688815
  eigenvalues    EBANDS =       -35.20421240
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90411849 eV

  energy without entropy =      -13.89723033  energy(sigma->0) =      -13.90182243
  exchange ACFDT corr.  =        -0.00623069  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2300: real time      1.2354
    TRIAL :  cpu time    588.4506: real time    593.4623
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2644: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    590.6715: real time    595.6968

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1709706E-04  (-0.9871239E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009372 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.45336918
  -exchange      EXHF   =        33.26255430
  -V(xc)+E(xc)   XCENC  =       -83.55015056
  PAW double counting   =    100961.98020560  -100861.02155893
  entropy T*S    EENTRO =        -0.00688140
  eigenvalues    EBANDS =       -35.20446887
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90413558 eV

  energy without entropy =      -13.89725418  energy(sigma->0) =      -13.90184178
  exchange ACFDT corr.  =        -0.00622334  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     36(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7212: real time      0.7271
    SETDIJ:  cpu time      1.2305: real time      1.2357
    TRIAL :  cpu time    590.1901: real time    595.2076
    CORREC:  cpu time      0.0042: real time      0.0043
    EDDIAG:  cpu time    592.0682: real time    597.0482
    CHARGE:  cpu time      0.2631: real time      0.2653
    --------------------------------------------
      LOOP:  cpu time   1184.4782: real time   1194.4890

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7356924E-05  (-0.6931916E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009364 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       403.50815597
  -Hartree energ DENC   =      -701.45150069
  -exchange      EXHF   =        33.26260884
  -V(xc)+E(xc)   XCENC  =       -83.55013655
  PAW double counting   =    100965.92297440  -100864.96433336
  entropy T*S    EENTRO =        -0.00687583
  eigenvalues    EBANDS =       -35.20639048
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90414294 eV

  energy without entropy =      -13.89726711  energy(sigma->0) =      -13.90185100
  exchange ACFDT corr.  =        -0.00621663  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0047


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8913       2 -69.7696       3 -69.7663       4 -69.7771       5 -69.9026
 
 
 
 E-fermi :   3.1560     XC(G=0):  -5.1212     alpha+bet : -8.9779

 Fermi energy:         3.1560102043

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8963      1.00000
      2      -9.9633      1.00000
      3      -8.6074      1.00000
      4      -6.7727      1.00000
      5      -4.3266      1.00000
      6      -1.5877      1.00000
      7       1.6395      1.00000
      8       4.6200     -0.00000
      9       5.4032     -0.00000
     10       7.9253     -0.00000
     11       7.9840     -0.00000
     12      11.8868      0.00000
     13      12.1846      0.00000
     14      16.0532      0.00000
     15      16.0577      0.00000
     16      16.0641      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3884      0.00000
     15      12.4999      0.00000
     16      12.7596      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3885      0.00000
     15      12.4999      0.00000
     16      12.7638      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3885      0.00000
     15      12.5001      0.00000
     16      12.7894      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5942      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5954      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5994      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8175      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8170      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8171      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3970      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3948      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3950      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6262      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6249      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6264      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8502     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8502     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8502     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8502     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8502     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0386      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0376      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0538      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0489      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0379      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0406      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7022      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0390      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0489      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0461      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8304      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8364      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8280      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8621      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8537      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8663      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6663      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6660      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6660      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6826      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6838      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6841      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8329      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2320     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8329      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2333     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8329      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40753
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2326     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2326     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8329      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40753
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2325     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8329      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40753
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2600     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8761      1.00000
      2      -0.8744      1.00000
      3      -0.8464      1.00000
      4      -0.0091      1.00000
      5       0.0869      1.00000
      6       0.0891      1.00000
      7       1.1053      1.00000
      8       1.1069      1.00000
      9       1.7987      1.00000
     10       2.6664      1.00147
     11       4.0796     -0.00000
     12       4.0854     -0.00000
     13       5.9868     -0.00000
     14       5.9933     -0.00000
     15       6.0741     -0.00000
     16       8.0142     -0.00000
 Fermi energy:         3.1560102043

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8963      1.00000
      2      -9.9633      1.00000
      3      -8.6074      1.00000
      4      -6.7727      1.00000
      5      -4.3266      1.00000
      6      -1.5877      1.00000
      7       1.6395      1.00000
      8       4.6200     -0.00000
      9       5.4032     -0.00000
     10       7.9253     -0.00000
     11       7.9840     -0.00000
     12      11.8868      0.00000
     13      12.1846      0.00000
     14      16.0550      0.00000
     15      16.0597      0.00000
     16      16.0738      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6878      1.00000
      2      -9.7542      1.00000
      3      -8.3973      1.00000
      4      -6.5610      1.00000
      5      -4.1106      1.00000
      6      -1.3777      1.00000
      7       1.8529      1.00000
      8       4.8030     -0.00000
      9       5.5776     -0.00000
     10       8.0932     -0.00000
     11       8.1491     -0.00000
     12      12.0161      0.00000
     13      12.2792      0.00000
     14      13.1176      0.00000
     15      13.8746      0.00000
     16      14.3172      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3885      0.00000
     15      12.5002      0.00000
     16      12.7761      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3885      0.00000
     15      12.4999      0.00000
     16      12.7599      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0625      1.00000
      2      -9.1267      1.00000
      3      -7.7666      1.00000
      4      -5.9256      1.00000
      5      -3.4641      1.00000
      6      -0.7488      1.00000
      7       2.4784      1.00001
      8       5.3353     -0.00000
      9       6.0955     -0.00000
     10       8.4758     -0.00000
     11       8.6232      0.00000
     12       9.7242      0.00000
     13      10.2933      0.00000
     14      11.3885      0.00000
     15      12.5000      0.00000
     16      12.7664      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5946      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5984      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0197      1.00000
      2      -8.0799      1.00000
      3      -6.7144      1.00000
      4      -4.8668      1.00000
      5      -2.3927      1.00000
      6       0.2883      1.00000
      7       3.4327     -0.03208
      8       5.6420     -0.00000
      9       6.5358     -0.00000
     10       6.8864     -0.00000
     11       7.0420     -0.00000
     12       8.0754     -0.00000
     13       9.3954      0.00000
     14       9.5735      0.00000
     15       9.8017      0.00000
     16      11.5960      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8172      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8183      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5573      1.00000
      2      -6.6114      1.00000
      3      -5.2391      1.00000
      4      -3.3881      1.00000
      5      -0.9273      1.00000
      6       1.5774      1.00000
      7       2.5400      1.00006
      8       3.5486     -0.00889
      9       4.8149     -0.00000
     10       5.1474     -0.00000
     11       6.5089     -0.00000
     12       7.6419     -0.00000
     13       8.2051     -0.00000
     14       8.7176      0.00000
     15      10.5117      0.00000
     16      10.8180      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3950      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3954      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6717      1.00000
      2      -4.7186      1.00000
      3      -3.3454      1.00000
      4      -1.5341      1.00000
      5      -0.6772      1.00000
      6       0.1401      1.00000
      7       1.1234      1.00000
      8       2.0279      1.00000
      9       3.6379     -0.00170
     10       3.7407     -0.00014
     11       5.9386     -0.00000
     12       6.7223     -0.00000
     13       8.2361     -0.00000
     14       9.1875      0.00000
     15       9.7439      0.00000
     16      10.3954      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3718      1.00000
      2      -3.3547      1.00000
      3      -2.4164      1.00000
      4      -2.4142      1.00000
      5      -1.2811      1.00000
      6      -0.8920      1.00000
      7       0.6249      1.00000
      8       1.3681      1.00000
      9       3.3903     -0.03505
     10       3.5336     -0.01108
     11       5.6730     -0.00000
     12       6.0195     -0.00000
     13       8.4216     -0.00000
     14       8.8695      0.00000
     15      10.2273      0.00000
     16      10.5338      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6254      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6240      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2710      1.00000
      2      -9.3359      1.00000
      3      -7.9769      1.00000
      4      -6.1374      1.00000
      5      -3.6794      1.00000
      6      -0.9581      1.00000
      7       2.2728      1.00000
      8       5.1624     -0.00000
      9       5.9243     -0.00000
     10       8.4178     -0.00000
     11       8.4575     -0.00000
     12      11.4199      0.00000
     13      11.4359      0.00000
     14      11.8996      0.00000
     15      12.0406      0.00000
     16      12.6578      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80267
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80267
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80267
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80267
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80268
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4369      1.00000
      2      -8.4989      1.00000
      3      -7.1355      1.00000
      4      -5.2903      1.00000
      5      -2.8200      1.00000
      6      -0.1235      1.00000
      7       3.0766      0.80267
      8       5.8158     -0.00000
      9       6.5927     -0.00000
     10       7.8503     -0.00000
     11       8.6105     -0.00000
     12       8.9979      0.00000
     13       9.4159      0.00000
     14       9.8480      0.00000
     15      10.1774      0.00000
     16      10.7373      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0378      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0389      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0381      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0381      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.1491      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1846      1.00000
      2      -7.2414      1.00000
      3      -5.8717      1.00000
      4      -4.0206      1.00000
      5      -1.5457      1.00000
      6       1.0940      1.00000
      7       3.8139     -0.00002
      8       4.6894     -0.00000
      9       5.4287     -0.00000
     10       6.5179     -0.00000
     11       7.0785     -0.00000
     12       7.6887     -0.00000
     13       8.1697     -0.00000
     14       8.8895      0.00000
     15       9.6176      0.00000
     16      10.0396      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99257
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5109      1.00000
      2      -5.5607      1.00000
      3      -4.1855      1.00000
      4      -2.3416      1.00000
      5       0.0226      1.00000
      6       0.9950      1.00000
      7       1.9958      1.00000
      8       2.9933      0.99256
      9       3.5325     -0.01132
     10       5.1816     -0.00000
     11       5.9156     -0.00000
     12       7.3316     -0.00000
     13       7.9804     -0.00000
     14       8.6433      0.00000
     15       9.0965      0.00000
     16       9.1410      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7019      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7020      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4127      1.00000
      2      -3.4587      1.00000
      3      -2.1023      1.00000
      4      -1.9016      1.00000
      5      -1.0193      1.00000
      6      -0.3646      1.00000
      7       0.6474      1.00000
      8       2.2837      1.00000
      9       2.6628      1.00138
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0256     -0.00000
     13       7.4932     -0.00000
     14       8.0217     -0.00000
     15       8.8645      0.00000
     16       9.7021      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0421      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0403      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3936      1.00000
      2      -7.4513      1.00000
      3      -6.0826      1.00000
      4      -4.2319      1.00000
      5      -1.7553      1.00000
      6       0.9023      1.00000
      7       3.9707     -0.00000
      8       6.0148     -0.00000
      9       6.4914     -0.00000
     10       7.2371     -0.00000
     11       7.3125     -0.00000
     12       7.5159     -0.00000
     13       7.5956     -0.00000
     14       8.3887     -0.00000
     15       8.7496      0.00000
     16      10.0421      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9304      1.00000
      2      -5.9818      1.00000
      3      -4.6071      1.00000
      4      -2.7565      1.00000
      5      -0.3074      1.00000
      6       2.1622      1.00000
      7       3.1288      0.61023
      8       4.1229     -0.00000
      9       5.0890     -0.00000
     10       5.3677     -0.00000
     11       5.9184     -0.00000
     12       6.4971     -0.00000
     13       7.0112     -0.00000
     14       7.7629     -0.00000
     15       8.4051     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8413      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8248      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8367      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8458      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8401      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0439      1.00000
      2      -4.0896      1.00000
      3      -2.7171      1.00000
      4      -0.9162      1.00000
      5      -0.0607      1.00000
      6       0.7421      1.00000
      7       1.7138      1.00000
      8       2.5992      1.00030
      9       4.0696     -0.00000
     10       4.2592     -0.00000
     11       4.8620     -0.00000
     12       5.7465     -0.00000
     13       6.6340     -0.00000
     14       7.4070     -0.00000
     15       7.5374     -0.00000
     16       8.8662      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6658      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6658      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7461      1.00000
      2      -2.7287      1.00000
      3      -1.8024      1.00000
      4      -1.7825      1.00000
      5      -0.6670      1.00000
      6      -0.2792      1.00000
      7       1.2250      1.00000
      8       1.9608      1.00000
      9       3.7831     -0.00004
     10       3.9012     -0.00000
     11       4.7215     -0.00000
     12       5.7692     -0.00000
     13       6.3922     -0.00000
     14       6.7609     -0.00000
     15       7.1343     -0.00000
     16       8.6658      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6830      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6826      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2544      1.00000
      2      -4.3005      1.00000
      3      -2.9252      1.00000
      4      -1.0991      1.00000
      5       1.1563      1.00000
      6       2.0943      1.00000
      7       2.2580      1.00000
      8       3.0005      0.98327
      9       3.4674     -0.02495
     10       4.2377     -0.00000
     11       4.4918     -0.00000
     12       4.8622     -0.00000
     13       6.1975     -0.00000
     14       6.8406     -0.00000
     15       7.2627     -0.00000
     16       8.6830      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2325     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2329     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2328     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2343     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40753
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2329     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1568      1.00000
      2      -2.2062      1.00000
      3      -0.8655      1.00000
      4      -0.6554      1.00000
      5       0.2034      1.00000
      6       0.8176      1.00000
      7       1.7506      1.00000
      8       1.8330      1.00000
      9       2.5774      1.00017
     10       3.1775      0.40752
     11       4.1344     -0.00000
     12       4.6643     -0.00000
     13       6.0493     -0.00000
     14       6.1460     -0.00000
     15       6.3651     -0.00000
     16       8.2334     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8761      1.00000
      2      -0.8744      1.00000
      3      -0.8464      1.00000
      4      -0.0091      1.00000
      5       0.0869      1.00000
      6       0.0891      1.00000
      7       1.1053      1.00000
      8       1.1069      1.00000
      9       1.7987      1.00000
     10       2.6664      1.00147
     11       4.0796     -0.00000
     12       4.0854     -0.00000
     13       5.9868     -0.00000
     14       5.9933     -0.00000
     15       6.0741     -0.00000
     16       8.0146     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.945 -61.926   0.000  -0.149   0.000   0.000  -0.011  -0.000
-61.926  33.075  -0.000   0.071  -0.000  -0.000   0.007   0.000
  0.000  -0.000   2.066  -0.000  -0.000  -0.321   0.000   0.000
 -0.149   0.071  -0.000   1.701   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.066   0.000  -0.000  -0.321
  0.000  -0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.5500: real time    426.6201
    FORNL :  cpu time      0.4970: real time      0.5029
    FORCOR:  cpu time      1.9492: real time      1.9608
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.145E-07 0.801E-06 0.182E+03   0.443E-13 0.289E-13 -.181E+03   0.124E-06 -.134E-05 -.107E+01
   -.239E-05 -.776E-06 0.923E+02   0.218E-14 0.121E-15 -.923E+02   0.148E-05 0.123E-05 -.675E-01
   0.380E-05 0.433E-05 -.170E+00   -.149E-12 -.852E-13 0.166E+00   -.332E-05 -.224E-05 0.163E-01
   -.214E-05 -.234E-06 -.925E+02   0.138E-12 0.854E-13 0.925E+02   0.109E-05 0.120E-05 0.100E+00
   -.217E-05 0.867E-06 -.182E+03   -.450E-13 -.261E-13 0.181E+03   0.183E-05 -.175E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   -.207E-05 0.562E-05 -.147E-02   -.971E-14 0.313E-14 0.000E+00   0.120E-05 -.132E-05 0.843E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.035695
      0.00000      0.00000      2.36645        -0.000000     -0.000000      0.000782
      1.42873      0.82488      4.67877         0.000001      0.000001      0.009359
      2.85746      1.64976      6.99375        -0.000001      0.000000      0.014333
      0.00000      0.00000      9.36930        -0.000000     -0.000000      0.011221
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000004      0.006579


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90414294 eV

  energy  without entropy=      -13.89726711  energy(sigma->0) =      -13.90185100
 
 d Force = 0.1295810E-03[ 0.125E-03, 0.134E-03]  d Energy = 0.1106616E-03 0.189E-04
 d Force = 0.1016197E+01[ 0.102E+01, 0.102E+01]  d Ewald  = 0.1016197E+01-0.824E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9502: real time      1.9621


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.202E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   7.5519
 eigenvalue spectrum of G is  7.5519


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0811
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9509: real time      1.9635
    EDDIAG:  cpu time    590.8899: real time    595.8832
    CHARGE:  cpu time      0.2632: real time      0.2654
 writing wavefunctions
     LOOP+:  cpu time   5751.3363: real time   5799.9268


--------------------------------------- Iteration     37(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7239: real time      0.7299
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    587.4462: real time    592.4752
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2637: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    589.6794: real time    594.7228

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9261516E-03  (-0.1061246E-02)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009786 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.26556819
  -exchange      EXHF   =        33.25770925
  -V(xc)+E(xc)   XCENC  =       -83.55166634
  PAW double counting   =    100915.51177999  -100814.55267385
  entropy T*S    EENTRO =        -0.00663991
  eigenvalues    EBANDS =       -35.04913674
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90320943 eV

  energy without entropy =      -13.89656953  energy(sigma->0) =      -13.90099613
  exchange ACFDT corr.  =        -0.00600722  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7276
    SETDIJ:  cpu time      1.2341: real time      1.2395
    TRIAL :  cpu time    590.4389: real time    595.5272
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2643: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    592.6636: real time    597.7657

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2191459E-03  (-0.9434390E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009802 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.13844775
  -exchange      EXHF   =        33.25676619
  -V(xc)+E(xc)   XCENC  =       -83.55197694
  PAW double counting   =    100910.63595262  -100809.67677726
  entropy T*S    EENTRO =        -0.00662714
  eigenvalues    EBANDS =       -35.17530861
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90342858 eV

  energy without entropy =      -13.89680144  energy(sigma->0) =      -13.90121953
  exchange ACFDT corr.  =        -0.00598992  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    589.5046: real time    594.5545
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2643: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    591.7274: real time    596.7910

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5057395E-03  (-0.2183661E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009829 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.07940542
  -exchange      EXHF   =        33.25593311
  -V(xc)+E(xc)   XCENC  =       -83.55224409
  PAW double counting   =    100908.15948106  -100807.20032659
  entropy T*S    EENTRO =        -0.00661685
  eigenvalues    EBANDS =       -35.23374832
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90393432 eV

  energy without entropy =      -13.89731747  energy(sigma->0) =      -13.90172870
  exchange ACFDT corr.  =        -0.00597460  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2273: real time      1.2328
    TRIAL :  cpu time    590.2558: real time    595.3350
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2645: real time      0.2667
    --------------------------------------------
      LOOP:  cpu time    592.4747: real time    597.5676

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1666976E-03  (-0.2322248E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009863 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.09969767
  -exchange      EXHF   =        33.25555150
  -V(xc)+E(xc)   XCENC  =       -83.55235585
  PAW double counting   =    100909.20733503  -100808.24826428
  entropy T*S    EENTRO =        -0.00660488
  eigenvalues    EBANDS =       -35.21305595
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90410101 eV

  energy without entropy =      -13.89749613  energy(sigma->0) =      -13.90189939
  exchange ACFDT corr.  =        -0.00596261  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2274: real time      1.2331
    TRIAL :  cpu time    588.4010: real time    593.4562
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2640: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    590.6193: real time    595.6885

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8470622E-04  (-0.1332703E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009876 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.12059781
  -exchange      EXHF   =        33.25546480
  -V(xc)+E(xc)   XCENC  =       -83.55237756
  PAW double counting   =    100912.11414243  -100811.15503110
  entropy T*S    EENTRO =        -0.00659163
  eigenvalues    EBANDS =       -35.19218468
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90418572 eV

  energy without entropy =      -13.89759409  energy(sigma->0) =      -13.90198851
  exchange ACFDT corr.  =        -0.00595087  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7275
    SETDIJ:  cpu time      1.2285: real time      1.2338
    TRIAL :  cpu time    586.4128: real time    591.4545
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2650: real time      0.2671
    --------------------------------------------
      LOOP:  cpu time    588.6325: real time    593.6877

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7364251E-04  (-0.2466078E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009865 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.11646754
  -exchange      EXHF   =        33.25547789
  -V(xc)+E(xc)   XCENC  =       -83.55236896
  PAW double counting   =    100918.09758926  -100817.13852010
  entropy T*S    EENTRO =        -0.00657922
  eigenvalues    EBANDS =       -35.19638135
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90425936 eV

  energy without entropy =      -13.89768015  energy(sigma->0) =      -13.90206629
  exchange ACFDT corr.  =        -0.00593888  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2279: real time      1.2332
    TRIAL :  cpu time    587.9546: real time    593.0263
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    590.1732: real time    595.2584

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1794586E-04  (-0.3423202E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009840 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.11017329
  -exchange      EXHF   =        33.25551151
  -V(xc)+E(xc)   XCENC  =       -83.55235296
  PAW double counting   =    100925.66742221  -100824.70836762
  entropy T*S    EENTRO =        -0.00656920
  eigenvalues    EBANDS =       -35.20274101
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427731 eV

  energy without entropy =      -13.89770811  energy(sigma->0) =      -13.90208758
  exchange ACFDT corr.  =        -0.00592776  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7296
    SETDIJ:  cpu time      1.2292: real time      1.2347
    TRIAL :  cpu time    590.4347: real time    595.5231
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2633: real time      0.2656
    --------------------------------------------
      LOOP:  cpu time    592.6549: real time    597.7578

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1342178E-04  (-0.1969636E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009808 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.11633565
  -exchange      EXHF   =        33.25554300
  -V(xc)+E(xc)   XCENC  =       -83.55233704
  PAW double counting   =    100933.48104011  -100832.52197705
  entropy T*S    EENTRO =        -0.00656053
  eigenvalues    EBANDS =       -35.19665796
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90429073 eV

  energy without entropy =      -13.89773020  energy(sigma->0) =      -13.90210389
  exchange ACFDT corr.  =        -0.00591842  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7274
    SETDIJ:  cpu time      1.2293: real time      1.2347
    TRIAL :  cpu time    589.7184: real time    594.7293
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2649: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    591.9393: real time    596.9637

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1256559E-04  (-0.5827604E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009774 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.12379522
  -exchange      EXHF   =        33.25553741
  -V(xc)+E(xc)   XCENC  =       -83.55233464
  PAW double counting   =    100940.78138123  -100839.82234553
  entropy T*S    EENTRO =        -0.00655187
  eigenvalues    EBANDS =       -35.18918908
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90430330 eV

  energy without entropy =      -13.89775143  energy(sigma->0) =      -13.90211934
  exchange ACFDT corr.  =        -0.00591005  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     37(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2314: real time      1.2369
    TRIAL :  cpu time    589.2079: real time    594.2362
    CORREC:  cpu time      0.0036: real time      0.0036
    EDDIAG:  cpu time    592.9548: real time    597.9785
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time   1184.3847: real time   1194.4505

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4404559E-05  (-0.6467272E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009740 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.17161882
  -Hartree energ DENC   =      -700.12099012
  -exchange      EXHF   =        33.25541530
  -V(xc)+E(xc)   XCENC  =       -83.55235017
  PAW double counting   =    100947.19497276  -100846.23590007
  entropy T*S    EENTRO =        -0.00654353
  eigenvalues    EBANDS =       -35.19197338
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90430770 eV

  energy without entropy =      -13.89776417  energy(sigma->0) =      -13.90212652
  exchange ACFDT corr.  =        -0.00590178  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0632


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8895       2 -69.7690       3 -69.7688       4 -69.7812       5 -69.9053
 
 
 
 E-fermi :   3.1553     XC(G=0):  -5.1220     alpha+bet : -8.9779

 Fermi energy:         3.1552611624

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8907      1.00000
      2      -9.9631      1.00000
      3      -8.6076      1.00000
      4      -6.7719      1.00000
      5      -4.3319      1.00000
      6      -1.5901      1.00000
      7       1.6289      1.00000
      8       4.6158     -0.00000
      9       5.4030     -0.00000
     10       7.9248     -0.00000
     11       7.9811     -0.00000
     12      11.8861      0.00000
     13      12.1820      0.00000
     14      16.0594      0.00000
     15      16.0635      0.00000
     16      16.0691      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3230      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3231      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3230      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7284      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4987      0.00000
     16      12.7600      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7283      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4987      0.00000
     16      12.7633      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7284      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4989      0.00000
     16      12.7883      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5912      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5923      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5960      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5110      0.00000
     16      10.8157      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5110      0.00000
     16      10.8151      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5109      0.00000
     16      10.8151      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7151     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4025      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7150     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4009      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7151     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4010      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0398      0.00000
     16      12.6249      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0398      0.00000
     16      12.6239      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0398      0.00000
     16      12.6251      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83120
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83120
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0346      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0339      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0465      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0417      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0341      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0360      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6995      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0382      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0485      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0468      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8299      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8355      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8285      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8590      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8535      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8648      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6670      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6670      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6794      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6804      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6807      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0481     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2293     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2305     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2299     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2299     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40241
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2299     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2515     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8681      1.00000
      3      -0.8393      1.00000
      4      -0.0066      1.00000
      5       0.0876      1.00000
      6       0.0886      1.00000
      7       1.1065      1.00000
      8       1.1073      1.00000
      9       1.7995      1.00000
     10       2.6688      1.00155
     11       4.0797     -0.00000
     12       4.0878     -0.00000
     13       5.9836     -0.00000
     14       5.9894     -0.00000
     15       6.0683     -0.00000
     16       8.0140     -0.00000
 Fermi energy:         3.1552611624

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8907      1.00000
      2      -9.9631      1.00000
      3      -8.6076      1.00000
      4      -6.7719      1.00000
      5      -4.3319      1.00000
      6      -1.5901      1.00000
      7       1.6289      1.00000
      8       4.6158     -0.00000
      9       5.4030     -0.00000
     10       7.9248     -0.00000
     11       7.9811     -0.00000
     12      11.8861      0.00000
     13      12.1820      0.00000
     14      16.0609      0.00000
     15      16.0647      0.00000
     16      16.0765      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3230      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3230      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6823      1.00000
      2      -9.7540      1.00000
      3      -8.3975      1.00000
      4      -6.5601      1.00000
      5      -4.1160      1.00000
      6      -1.3801      1.00000
      7       1.8424      1.00000
      8       4.7988     -0.00000
      9       5.5774     -0.00000
     10       8.0927     -0.00000
     11       8.1462     -0.00000
     12      12.0158      0.00000
     13      12.2772      0.00000
     14      13.1223      0.00000
     15      13.8751      0.00000
     16      14.3230      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7283      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4989      0.00000
     16      12.7742      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7283      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4987      0.00000
     16      12.7602      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0569      1.00000
      2      -9.1265      1.00000
      3      -7.7668      1.00000
      4      -5.9246      1.00000
      5      -3.4693      1.00000
      6      -0.7510      1.00000
      7       2.4683      1.00001
      8       5.3312     -0.00000
      9       6.0954     -0.00000
     10       8.4757     -0.00000
     11       8.6217      0.00000
     12       9.7283      0.00000
     13      10.2943      0.00000
     14      11.3883      0.00000
     15      12.4987      0.00000
     16      12.7654      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5916      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5952      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0139      1.00000
      2      -8.0796      1.00000
      3      -6.7144      1.00000
      4      -4.8656      1.00000
      5      -2.3977      1.00000
      6       0.2864      1.00000
      7       3.4242     -0.03339
      8       5.6443     -0.00000
      9       6.5357     -0.00000
     10       6.8864     -0.00000
     11       7.0422     -0.00000
     12       8.0757     -0.00000
     13       9.3955      0.00000
     14       9.5730      0.00000
     15       9.8005      0.00000
     16      11.5928      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5109      0.00000
     16      10.8153      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5110      0.00000
     16      10.8163      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6110      1.00000
      3      -5.2390      1.00000
      4      -3.3866      1.00000
      5      -0.9318      1.00000
      6       1.5771      1.00000
      7       2.5455      1.00007
      8       3.5491     -0.00879
      9       4.8143     -0.00000
     10       5.1404     -0.00000
     11       6.5108     -0.00000
     12       7.6386     -0.00000
     13       8.2050     -0.00000
     14       8.7137      0.00000
     15      10.5110      0.00000
     16      10.8160      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7151     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4011      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7151     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4013      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6654      1.00000
      2      -4.7181      1.00000
      3      -3.3451      1.00000
      4      -1.5323      1.00000
      5      -0.6702      1.00000
      6       0.1399      1.00000
      7       1.1214      1.00000
      8       2.0271      1.00000
      9       3.6392     -0.00164
     10       3.7399     -0.00014
     11       5.9347     -0.00000
     12       6.7151     -0.00000
     13       8.2344     -0.00000
     14       9.1849      0.00000
     15       9.7441      0.00000
     16      10.4013      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3478      1.00000
      3      -2.4163      1.00000
      4      -2.4128      1.00000
      5      -1.2806      1.00000
      6      -0.8915      1.00000
      7       0.6269      1.00000
      8       1.3695      1.00000
      9       3.3867     -0.03473
     10       3.5287     -0.01190
     11       5.6725     -0.00000
     12       6.0177     -0.00000
     13       8.4145     -0.00000
     14       8.8648      0.00000
     15      10.2334      0.00000
     16      10.5335      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0398      0.00000
     16      12.6242      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0399      0.00000
     16      12.6232      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2654      1.00000
      2      -9.3357      1.00000
      3      -7.9771      1.00000
      4      -6.1365      1.00000
      5      -3.6847      1.00000
      6      -0.9604      1.00000
      7       2.2625      1.00000
      8       5.1582     -0.00000
      9       5.9242     -0.00000
     10       8.4175     -0.00000
     11       8.4548     -0.00000
     12      11.4261      0.00000
     13      11.4415      0.00000
     14      11.9001      0.00000
     15      12.0399      0.00000
     16      12.6538      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4986      1.00000
      3      -7.1356      1.00000
      4      -5.2891      1.00000
      5      -2.8251      1.00000
      6      -0.1255      1.00000
      7       3.0672      0.83119
      8       5.8122     -0.00000
      9       6.5927     -0.00000
     10       7.8558     -0.00000
     11       8.6102     -0.00000
     12       8.9980      0.00000
     13       9.4159      0.00000
     14       9.8477      0.00000
     15      10.1814      0.00000
     16      10.7384      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0340      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0350      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0342      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0342      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.1284      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1787      1.00000
      2      -7.2410      1.00000
      3      -5.8717      1.00000
      4      -4.0193      1.00000
      5      -1.5504      1.00000
      6       1.0925      1.00000
      7       3.8135     -0.00002
      8       4.6892     -0.00000
      9       5.4277     -0.00000
     10       6.5182     -0.00000
     11       7.0760     -0.00000
     12       7.6887     -0.00000
     13       8.1714     -0.00000
     14       8.8949      0.00000
     15       9.6175      0.00000
     16      10.0355      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99347
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99347
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5048      1.00000
      2      -5.5602      1.00000
      3      -4.1853      1.00000
      4      -2.3399      1.00000
      5       0.0192      1.00000
      6       1.0010      1.00000
      7       1.9966      1.00000
      8       2.9922      0.99346
      9       3.5327     -0.01126
     10       5.1834     -0.00000
     11       5.9089     -0.00000
     12       7.3290     -0.00000
     13       7.9819     -0.00000
     14       8.6427      0.00000
     15       9.0964      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6995      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6995      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6995      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4062      1.00000
      2      -3.4581      1.00000
      3      -2.1018      1.00000
      4      -1.8948      1.00000
      5      -1.0182      1.00000
      6      -0.3632      1.00000
      7       0.6480      1.00000
      8       2.2832      1.00000
      9       2.6610      1.00133
     10       4.7400     -0.00000
     11       4.8999     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0212     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0411      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0402      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4509      1.00000
      3      -6.0825      1.00000
      4      -4.2306      1.00000
      5      -1.7601      1.00000
      6       0.9006      1.00000
      7       3.9634     -0.00000
      8       6.0173     -0.00000
      9       6.4963     -0.00000
     10       7.2391     -0.00000
     11       7.3130     -0.00000
     12       7.5155     -0.00000
     13       7.5953     -0.00000
     14       8.3888     -0.00000
     15       8.7501      0.00000
     16      10.0414      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0906     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0906     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9243      1.00000
      2      -5.9814      1.00000
      3      -4.6070      1.00000
      4      -2.7549      1.00000
      5      -0.3118      1.00000
      6       2.1622      1.00000
      7       3.1344      0.58818
      8       4.1235     -0.00000
      9       5.0905     -0.00000
     10       5.3683     -0.00000
     11       5.9177     -0.00000
     12       6.4959     -0.00000
     13       7.0120     -0.00000
     14       7.7628     -0.00000
     15       8.4028     -0.00000
     16       8.7492      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8388      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8246      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8358      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8439      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8402      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0375      1.00000
      2      -4.0890      1.00000
      3      -2.7168      1.00000
      4      -0.9143      1.00000
      5      -0.0538      1.00000
      6       0.7419      1.00000
      7       1.7120      1.00000
      8       2.5987      1.00030
      9       4.0705     -0.00000
     10       4.2603     -0.00000
     11       4.8668     -0.00000
     12       5.7463     -0.00000
     13       6.6317     -0.00000
     14       7.4057     -0.00000
     15       7.5306     -0.00000
     16       8.8636      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6669      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6669      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7218      1.00000
      3      -1.8009      1.00000
      4      -1.7823      1.00000
      5      -0.6664      1.00000
      6      -0.2786      1.00000
      7       1.2273      1.00000
      8       1.9622      1.00000
      9       3.7803     -0.00005
     10       3.9001     -0.00000
     11       4.7242     -0.00000
     12       5.7693     -0.00000
     13       6.3918     -0.00000
     14       6.7590     -0.00000
     15       7.1345     -0.00000
     16       8.6669      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6798      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6794      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2481      1.00000
      2      -4.2999      1.00000
      3      -2.9249      1.00000
      4      -1.0972      1.00000
      5       1.1537      1.00000
      6       2.1005      1.00000
      7       2.2639      1.00000
      8       3.0025      0.98007
      9       3.4673     -0.02487
     10       4.2377     -0.00000
     11       4.4915     -0.00000
     12       4.8625     -0.00000
     13       6.1993     -0.00000
     14       6.8415     -0.00000
     15       7.2556     -0.00000
     16       8.6797      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2298     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2302     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0481     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2301     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0481     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2315     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40241
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2303     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2054      1.00000
      3      -0.8649      1.00000
      4      -0.6487      1.00000
      5       0.2047      1.00000
      6       0.8192      1.00000
      7       1.7563      1.00000
      8       1.8348      1.00000
      9       2.5776      1.00017
     10       3.1785      0.40240
     11       4.1326     -0.00000
     12       4.6638     -0.00000
     13       6.0480     -0.00000
     14       6.1458     -0.00000
     15       6.3628     -0.00000
     16       8.2307     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8681      1.00000
      3      -0.8393      1.00000
      4      -0.0066      1.00000
      5       0.0876      1.00000
      6       0.0886      1.00000
      7       1.1065      1.00000
      8       1.1073      1.00000
      9       1.7995      1.00000
     10       2.6688      1.00155
     11       4.0797     -0.00000
     12       4.0878     -0.00000
     13       5.9836     -0.00000
     14       5.9894     -0.00000
     15       6.0683     -0.00000
     16       8.0143     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.937 -61.922   0.000  -0.146   0.000  -0.000  -0.012  -0.000
-61.922  33.073  -0.000   0.069  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.066  -0.000  -0.000  -0.321   0.000   0.000
 -0.146   0.069  -0.000   1.702   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.066   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.7825: real time    426.8406
    FORNL :  cpu time      0.5004: real time      0.5069
    FORCOR:  cpu time      1.9559: real time      1.9676
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.679E-06 -.948E-06 0.182E+03   0.435E-13 0.257E-13 -.181E+03   -.575E-06 0.751E-06 -.108E+01
   -.883E-06 -.557E-06 0.922E+02   0.138E-14 0.284E-14 -.921E+02   -.281E-06 0.110E-05 -.626E-01
   0.219E-05 0.164E-05 -.128E+00   -.146E-12 -.800E-13 0.127E+00   -.126E-05 -.466E-06 0.901E-02
   -.223E-05 -.302E-06 -.924E+02   0.131E-12 0.844E-13 0.923E+02   0.150E-05 0.180E-05 0.903E-01
   0.405E-05 0.430E-05 -.181E+03   -.397E-13 -.298E-13 0.180E+03   -.412E-05 -.468E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.479E-05 0.473E-05 0.970E-02   -.971E-14 0.313E-14 0.000E+00   -.474E-05 -.150E-05 -.433E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.037866
      0.00000      0.00000      2.36706        -0.000001      0.000000      0.007013
      1.42873      0.82488      4.68239         0.000000      0.000000      0.006755
      2.85746      1.64976      6.99942        -0.000001      0.000001      0.009075
      0.00000      0.00000      9.37412         0.000001     -0.000001      0.015023
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000003      0.008912


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90430770 eV

  energy  without entropy=      -13.89776417  energy(sigma->0) =      -13.90212652
 
 d Force = 0.1610533E-03[ 0.153E-03, 0.170E-03]  d Energy = 0.1647610E-03-0.371E-05
 d Force = 0.1336537E+01[ 0.134E+01, 0.134E+01]  d Ewald  = 0.1336537E+01-0.174E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9527: real time      1.9643


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.194E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.0400
 eigenvalue spectrum of G is  4.0400


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.1981
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0852
    POTLOK:  cpu time      1.9506: real time      1.9629
    EDDIAG:  cpu time    592.7895: real time    597.7892
    CHARGE:  cpu time      0.2653: real time      0.2675
 writing wavefunctions
     LOOP+:  cpu time   7529.1782: real time   7593.4168


--------------------------------------- Iteration     38(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7280
    SETDIJ:  cpu time      1.2310: real time      1.2364
    TRIAL :  cpu time    586.8354: real time    591.8703
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2661: real time      0.2683
    --------------------------------------------
      LOOP:  cpu time    589.0685: real time    594.1183

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4703550E-03  (-0.1587782E-02)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009696 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.49480656
  -exchange      EXHF   =        33.25664027
  -V(xc)+E(xc)   XCENC  =       -83.55195249
  PAW double counting   =    100960.60894850  -100859.64996687
  entropy T*S    EENTRO =        -0.00658324
  eigenvalues    EBANDS =       -35.21274417
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90383294 eV

  energy without entropy =      -13.89724970  energy(sigma->0) =      -13.90163853
  exchange ACFDT corr.  =        -0.00591976  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7278
    SETDIJ:  cpu time      1.2395: real time      1.2449
    TRIAL :  cpu time    590.2794: real time    595.3158
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    592.5092: real time    597.5597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1290022E-03  (-0.1284321E-02)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009671 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.49148492
  -exchange      EXHF   =        33.25675327
  -V(xc)+E(xc)   XCENC  =       -83.55191821
  PAW double counting   =    100962.97277200  -100862.01382524
  entropy T*S    EENTRO =        -0.00658618
  eigenvalues    EBANDS =       -35.21604745
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90370394 eV

  energy without entropy =      -13.89711776  energy(sigma->0) =      -13.90150854
  exchange ACFDT corr.  =        -0.00592175  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2306: real time      1.2364
    TRIAL :  cpu time    591.1085: real time    596.1481
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2664
    --------------------------------------------
      LOOP:  cpu time    593.3303: real time    598.3840

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5030328E-03  ( 0.1122935E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009644 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50101382
  -exchange      EXHF   =        33.25693153
  -V(xc)+E(xc)   XCENC  =       -83.55186440
  PAW double counting   =    100966.47771859  -100865.51877112
  entropy T*S    EENTRO =        -0.00658873
  eigenvalues    EBANDS =       -35.20725142
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90420697 eV

  energy without entropy =      -13.89761824  energy(sigma->0) =      -13.90201073
  exchange ACFDT corr.  =        -0.00592482  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7281
    SETDIJ:  cpu time      1.2332: real time      1.2386
    TRIAL :  cpu time    590.7304: real time    595.7748
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2656: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    592.9556: real time    598.0141

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2192451E-04  (-0.2764336E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009619 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50731131
  -exchange      EXHF   =        33.25705775
  -V(xc)+E(xc)   XCENC  =       -83.55182669
  PAW double counting   =    100969.68214302  -100868.72318972
  entropy T*S    EENTRO =        -0.00659111
  eigenvalues    EBANDS =       -35.20109922
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90418505 eV

  energy without entropy =      -13.89759394  energy(sigma->0) =      -13.90198801
  exchange ACFDT corr.  =        -0.00592750  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2331: real time      1.2384
    TRIAL :  cpu time    589.2610: real time    594.3189
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2628: real time      0.2662
    --------------------------------------------
      LOOP:  cpu time    591.4833: real time    596.5565

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7432900E-05  (-0.1611020E-03)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009597 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50718517
  -exchange      EXHF   =        33.25711355
  -V(xc)+E(xc)   XCENC  =       -83.55181149
  PAW double counting   =    100972.40831912  -100871.44937682
  entropy T*S    EENTRO =        -0.00659291
  eigenvalues    EBANDS =       -35.20129041
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90419248 eV

  energy without entropy =      -13.89759957  energy(sigma->0) =      -13.90199484
  exchange ACFDT corr.  =        -0.00592977  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7214: real time      0.7275
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    590.4100: real time    595.4695
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2648: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    592.6316: real time    597.7047

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7039440E-04  ( 0.2543205E-05)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009577 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50783760
  -exchange      EXHF   =        33.25713879
  -V(xc)+E(xc)   XCENC  =       -83.55180491
  PAW double counting   =    100974.93779561  -100873.97884444
  entropy T*S    EENTRO =        -0.00659426
  eigenvalues    EBANDS =       -35.20074728
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426287 eV

  energy without entropy =      -13.89766861  energy(sigma->0) =      -13.90206479
  exchange ACFDT corr.  =        -0.00593143  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7207: real time      0.7272
    SETDIJ:  cpu time      1.2320: real time      1.2374
    TRIAL :  cpu time    590.9940: real time    596.0273
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2636: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    593.2148: real time    598.2621

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7728901E-05  (-0.4527317E-04)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009557 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50663864
  -exchange      EXHF   =        33.25713715
  -V(xc)+E(xc)   XCENC  =       -83.55180561
  PAW double counting   =    100977.34046021  -100876.38150009
  entropy T*S    EENTRO =        -0.00659546
  eigenvalues    EBANDS =       -35.20194377
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90425515 eV

  energy without entropy =      -13.89765969  energy(sigma->0) =      -13.90205666
  exchange ACFDT corr.  =        -0.00593268  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7209: real time      0.7273
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    590.3141: real time    595.3122
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    592.5350: real time    597.5471

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4345275E-05  (-0.1969902E-04)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009539 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50483680
  -exchange      EXHF   =        33.25712649
  -V(xc)+E(xc)   XCENC  =       -83.55180844
  PAW double counting   =    100979.65545773  -100878.69649140
  entropy T*S    EENTRO =        -0.00659649
  eigenvalues    EBANDS =       -35.20374147
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90425949 eV

  energy without entropy =      -13.89766300  energy(sigma->0) =      -13.90206066
  exchange ACFDT corr.  =        -0.00593377  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     38(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7288
    SETDIJ:  cpu time      1.2324: real time      1.2377
    TRIAL :  cpu time    592.1912: real time    597.2516
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    592.7453: real time    597.7136
    CHARGE:  cpu time      0.2641: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time   1187.1603: real time   1197.2030

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9558571E-05  (-0.1936328E-06)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009524 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.56524561
  -Hartree energ DENC   =      -700.50527210
  -exchange      EXHF   =        33.25713119
  -V(xc)+E(xc)   XCENC  =       -83.55180730
  PAW double counting   =    100981.93364072  -100880.97468327
  entropy T*S    EENTRO =        -0.00659742
  eigenvalues    EBANDS =       -35.20330735
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426905 eV

  energy without entropy =      -13.89767163  energy(sigma->0) =      -13.90206991
  exchange ACFDT corr.  =        -0.00593476  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9497


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8945       2 -69.7728       3 -69.7688       4 -69.7777       5 -69.9010
 
 
 
 E-fermi :   3.1542     XC(G=0):  -5.1217     alpha+bet : -8.9779

 Fermi energy:         3.1542463231

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8931      1.00000
      2      -9.9634      1.00000
      3      -8.6079      1.00000
      4      -6.7729      1.00000
      5      -4.3310      1.00000
      6      -1.5901      1.00000
      7       1.6308      1.00000
      8       4.6167     -0.00000
      9       5.4041     -0.00000
     10       7.9253     -0.00000
     11       7.9820     -0.00000
     12      11.8862      0.00000
     13      12.1831      0.00000
     14      16.0567      0.00000
     15      16.0609      0.00000
     16      16.0668      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3205      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3206      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3205      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7594      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7627      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4991      0.00000
     16      12.7862      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5916      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5926      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5959      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8160      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8156      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8157      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3996      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3984      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3985      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6244      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6234      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6248      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82811
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0354      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0348      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0452      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0409      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0350      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0365      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7001      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0382      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0484      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0466      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8290      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8348      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8274      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8584      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8518      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8637      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6663      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6798      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6808      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6810      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40082
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2298     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2308     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40082
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2303     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40082
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2303     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40082
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2303     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40082
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2478     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8722      1.00000
      2      -0.8703      1.00000
      3      -0.8421      1.00000
      4      -0.0076      1.00000
      5       0.0868      1.00000
      6       0.0893      1.00000
      7       1.1055      1.00000
      8       1.1075      1.00000
      9       1.7992      1.00000
     10       2.6677      1.00155
     11       4.0808     -0.00000
     12       4.0848     -0.00000
     13       5.9844     -0.00000
     14       5.9899     -0.00000
     15       6.0696     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1542463231

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8931      1.00000
      2      -9.9634      1.00000
      3      -8.6079      1.00000
      4      -6.7729      1.00000
      5      -4.3310      1.00000
      6      -1.5901      1.00000
      7       1.6308      1.00000
      8       4.6167     -0.00000
      9       5.4041     -0.00000
     10       7.9253     -0.00000
     11       7.9820     -0.00000
     12      11.8862      0.00000
     13      12.1831      0.00000
     14      16.0583      0.00000
     15      16.0620      0.00000
     16      16.0722      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3205      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3205      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6847      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1151      1.00000
      6      -1.3800      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5785     -0.00000
     10       8.0933     -0.00000
     11       8.1471     -0.00000
     12      12.0157      0.00000
     13      12.2781      0.00000
     14      13.1202      0.00000
     15      13.8747      0.00000
     16      14.3205      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4991      0.00000
     16      12.7730      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7597      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0593      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9257      1.00000
      5      -3.4685      1.00000
      6      -0.7510      1.00000
      7       2.4701      1.00001
      8       5.3321     -0.00000
      9       6.0964     -0.00000
     10       8.4759     -0.00000
     11       8.6224      0.00000
     12       9.7265      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4990      0.00000
     16      12.7646      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5919      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5951      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0163      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8667      1.00000
      5      -2.3968      1.00000
      6       0.2864      1.00000
      7       3.4257     -0.03325
      8       5.6432     -0.00000
      9       6.5355     -0.00000
     10       6.8862     -0.00000
     11       7.0430     -0.00000
     12       8.0753     -0.00000
     13       9.3956      0.00000
     14       9.5731      0.00000
     15       9.8007      0.00000
     16      11.5931      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8159      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8168      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5538      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3877      1.00000
      5      -0.9311      1.00000
      6       1.5767      1.00000
      7       2.5432      1.00007
      8       3.5488     -0.00873
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5096     -0.00000
     12       7.6393     -0.00000
     13       8.2061     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8165      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3985      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3987      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6679      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5335      1.00000
      5      -0.6730      1.00000
      6       0.1398      1.00000
      7       1.1217      1.00000
      8       2.0270      1.00000
      9       3.6383     -0.00165
     10       3.7396     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7450      0.00000
     16      10.3987      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3678      1.00000
      2      -3.3506      1.00000
      3      -2.4164      1.00000
      4      -2.4135      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6258      1.00000
      8       1.3685      1.00000
      9       3.3874     -0.03486
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4162     -0.00000
     14       8.8657      0.00000
     15      10.2309      0.00000
     16      10.5333      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6239      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6228      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2678      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6838      1.00000
      6      -0.9604      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9252     -0.00000
     10       8.4180     -0.00000
     11       8.4557     -0.00000
     12      11.4236      0.00000
     13      11.4393      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6509      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4337      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1255      1.00000
      7       3.0689      0.82810
      8       5.8129     -0.00000
      9       6.5937     -0.00000
     10       7.8537     -0.00000
     11       8.6101     -0.00000
     12       8.9982      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1796      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0349      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0357      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8929      0.00000
     15       9.6173      0.00000
     16      10.0351      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8929      0.00000
     15       9.6173      0.00000
     16      10.0351      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.1148      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1812      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0204      1.00000
      5      -1.5496      1.00000
      6       1.0924      1.00000
      7       3.8128     -0.00002
      8       4.6888     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6896     -0.00000
     13       8.1703     -0.00000
     14       8.8928      0.00000
     15       9.6173      0.00000
     16      10.0362      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5073      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3411      1.00000
      5       0.0197      1.00000
      6       0.9987      1.00000
      7       1.9962      1.00000
      8       2.9922      0.99273
      9       3.5323     -0.01122
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9811     -0.00000
     14       8.6426      0.00000
     15       9.0974      0.00000
     16       9.1404      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4088      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8974      1.00000
      5      -1.0187      1.00000
      6      -0.3641      1.00000
      7       0.6475      1.00000
      8       2.2830      1.00000
      9       2.6608      1.00133
     10       4.7407     -0.00000
     11       4.8998     -0.00000
     12       7.0252     -0.00000
     13       7.4919     -0.00000
     14       8.0209     -0.00000
     15       8.8631      0.00000
     16       9.7001      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0409      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0401      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3902      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2317      1.00000
      5      -1.7593      1.00000
      6       0.9006      1.00000
      7       3.9647     -0.00000
      8       6.0161     -0.00000
      9       6.4944     -0.00000
     10       7.2383     -0.00000
     11       7.3124     -0.00000
     12       7.5156     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0413      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9268      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7561      1.00000
      5      -0.3110      1.00000
      6       2.1617      1.00000
      7       3.1321      0.59341
      8       4.1232     -0.00000
      9       5.0894     -0.00000
     10       5.3679     -0.00000
     11       5.9175     -0.00000
     12       6.4959     -0.00000
     13       7.0113     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8386      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8240      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8351      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8435      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8388      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0401      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9155      1.00000
      5      -0.0565      1.00000
      6       0.7418      1.00000
      7       1.7122      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2594     -0.00000
     11       4.8648     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5321     -0.00000
     16       8.8628      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6660      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6660      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7421      1.00000
      2      -2.7246      1.00000
      3      -1.8016      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2261      1.00000
      8       1.9613      1.00000
      9       3.7807     -0.00004
     10       3.8998     -0.00000
     11       4.7229     -0.00000
     12       5.7690     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6801      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6799      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2506      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0984      1.00000
      5       1.1540      1.00000
      6       2.0980      1.00000
      7       2.2616      1.00000
      8       3.0018      0.97990
      9       3.4673     -0.02469
     10       4.2376     -0.00000
     11       4.4911     -0.00000
     12       4.8621     -0.00000
     13       6.1982     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6801      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2302     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2316     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1528      1.00000
      2      -2.2058      1.00000
      3      -0.8653      1.00000
      4      -0.6513      1.00000
      5       0.2041      1.00000
      6       0.8183      1.00000
      7       1.7541      1.00000
      8       1.8339      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40083
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2309     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8722      1.00000
      2      -0.8703      1.00000
      3      -0.8421      1.00000
      4      -0.0076      1.00000
      5       0.0868      1.00000
      6       0.0893      1.00000
      7       1.1055      1.00000
      8       1.1075      1.00000
      9       1.7992      1.00000
     10       2.6677      1.00155
     11       4.0808     -0.00000
     12       4.0848     -0.00000
     13       5.9844     -0.00000
     14       5.9899     -0.00000
     15       6.0696     -0.00000
     16       8.0139     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000   0.000  -0.010  -0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.944 -61.926  -0.000  -0.146   0.000  -0.000  -0.012  -0.000
-61.926  33.075  -0.000   0.069  -0.000   0.000   0.008   0.000
 -0.000  -0.000   2.066  -0.000  -0.000  -0.321   0.000   0.000
 -0.146   0.069  -0.000   1.702   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.066   0.000  -0.000  -0.321
 -0.000   0.000  -0.321   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.1661: real time    426.2492
    FORNL :  cpu time      0.4977: real time      0.5036
    FORCOR:  cpu time      1.9516: real time      1.9628
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.374E-05 -.402E-05 0.182E+03   0.386E-13 0.250E-13 -.181E+03   -.425E-05 0.447E-05 -.108E+01
   0.857E-06 0.694E-06 0.923E+02   0.468E-14 0.463E-14 -.922E+02   -.929E-06 -.362E-06 -.665E-01
   0.147E-05 -.167E-05 -.159E+00   -.146E-12 -.813E-13 0.142E+00   -.169E-05 0.159E-05 0.144E-01
   0.228E-05 0.385E-06 -.924E+02   0.132E-12 0.738E-13 0.924E+02   -.317E-05 -.485E-06 0.990E-01
   0.385E-05 -.459E-05 -.181E+03   -.388E-13 -.190E-13 0.181E+03   -.435E-05 0.509E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.132E-04 -.955E-05 -.285E-01   -.971E-14 0.313E-14 0.284E-13   -.144E-04 0.103E-04 0.117E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.029788
      0.00000      0.00000      2.36703         0.000000      0.000000     -0.001856
      1.42873      0.82488      4.68130        -0.000001     -0.000001     -0.000372
      2.85746      1.64976      6.99766        -0.000000     -0.000000      0.008268
      0.00000      0.00000      9.37282         0.000000      0.000000      0.023749
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000001     -0.015911


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90426905 eV

  energy  without entropy=      -13.89767163  energy(sigma->0) =      -13.90206991
 
 d Force =-0.4395221E-04[-0.449E-04,-0.430E-04]  d Energy =-0.3865115E-04-0.530E-05
 d Force =-0.3936268E+00[-0.394E+00,-0.394E+00]  d Ewald  =-0.3936268E+00 0.688E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9508: real time      1.9632


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.307E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.1139
 eigenvalue spectrum of G is  3.7509  0.4769


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0059: real time      0.0505
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0844
    POTLOK:  cpu time      1.9509: real time      1.9635
    EDDIAG:  cpu time    591.8444: real time    596.8580
    CHARGE:  cpu time      0.2635: real time      0.2657
 writing wavefunctions
     LOOP+:  cpu time   6947.5455: real time   7006.3578


--------------------------------------- Iteration     39(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7297
    SETDIJ:  cpu time      1.2386: real time      1.2441
    TRIAL :  cpu time    589.0004: real time    594.0351
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2669: real time      0.2691
    --------------------------------------------
      LOOP:  cpu time    591.2435: real time    596.2931

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1294322E-02  (-0.5727389E-02)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009521 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48461049
  -exchange      EXHF   =        33.25708439
  -V(xc)+E(xc)   XCENC  =       -83.55182070
  PAW double counting   =    100983.20329369  -100882.24431318
  entropy T*S    EENTRO =        -0.00659537
  eigenvalues    EBANDS =       -35.20401586
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90296517 eV

  energy without entropy =      -13.89636980  energy(sigma->0) =      -13.90076671
  exchange ACFDT corr.  =        -0.00593577  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7285
    SETDIJ:  cpu time      1.2318: real time      1.2372
    TRIAL :  cpu time    590.4037: real time    595.4240
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    592.6262: real time    597.6607

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5591800E-03  (-0.4622776E-02)
 number of electron      15.0000000 magnetization       0.0000005
 augmentation part       -0.0009511 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.49701167
  -exchange      EXHF   =        33.25712673
  -V(xc)+E(xc)   XCENC  =       -83.55180598
  PAW double counting   =    100984.50459946  -100883.54560714
  entropy T*S    EENTRO =        -0.00659796
  eigenvalues    EBANDS =       -35.19112504
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90240599 eV

  energy without entropy =      -13.89580803  energy(sigma->0) =      -13.90020667
  exchange ACFDT corr.  =        -0.00593535  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7279
    SETDIJ:  cpu time      1.2365: real time      1.2418
    TRIAL :  cpu time    590.4831: real time    595.4688
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2649: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    592.7103: real time    597.7101

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1759599E-02  ( 0.1056500E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009502 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48571877
  -exchange      EXHF   =        33.25707901
  -V(xc)+E(xc)   XCENC  =       -83.55182343
  PAW double counting   =    100985.50497105  -100884.54600792
  entropy T*S    EENTRO =        -0.00659774
  eigenvalues    EBANDS =       -35.20408059
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90416559 eV

  energy without entropy =      -13.89756784  energy(sigma->0) =      -13.90196634
  exchange ACFDT corr.  =        -0.00593626  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7279
    SETDIJ:  cpu time      1.2389: real time      1.2443
    TRIAL :  cpu time    588.6344: real time    593.6457
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2642: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    590.8646: real time    595.8893

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1328432E-03  (-0.9685954E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009493 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48593283
  -exchange      EXHF   =        33.25707026
  -V(xc)+E(xc)   XCENC  =       -83.55182624
  PAW double counting   =    100986.91555340  -100885.95658614
  entropy T*S    EENTRO =        -0.00659785
  eigenvalues    EBANDS =       -35.20372646
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90403274 eV

  energy without entropy =      -13.89743490  energy(sigma->0) =      -13.90183346
  exchange ACFDT corr.  =        -0.00593674  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2361: real time      1.2416
    TRIAL :  cpu time    589.9886: real time    594.9961
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2636: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    592.2157: real time    597.2369

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7454655E-05  (-0.5732423E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009483 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.49082754
  -exchange      EXHF   =        33.25708206
  -V(xc)+E(xc)   XCENC  =       -83.55182208
  PAW double counting   =    100988.51713760  -100887.55817175
  entropy T*S    EENTRO =        -0.00659825
  eigenvalues    EBANDS =       -35.19883874
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402529 eV

  energy without entropy =      -13.89742704  energy(sigma->0) =      -13.90182587
  exchange ACFDT corr.  =        -0.00593683  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2368: real time      1.2421
    TRIAL :  cpu time    588.6507: real time    593.6514
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2643: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    590.8786: real time    595.8931

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2420049E-03  ( 0.1992531E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009474 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48708237
  -exchange      EXHF   =        33.25706576
  -V(xc)+E(xc)   XCENC  =       -83.55182795
  PAW double counting   =    100989.76817492  -100888.80922305
  entropy T*S    EENTRO =        -0.00659826
  eigenvalues    EBANDS =       -35.20278937
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426729 eV

  energy without entropy =      -13.89766903  energy(sigma->0) =      -13.90206787
  exchange ACFDT corr.  =        -0.00593706  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7273
    SETDIJ:  cpu time      1.2386: real time      1.2441
    TRIAL :  cpu time    590.7581: real time    595.7488
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2650: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time    592.9877: real time    597.9920

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3668413E-04  (-0.1593151E-03)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009468 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48624511
  -exchange      EXHF   =        33.25706190
  -V(xc)+E(xc)   XCENC  =       -83.55182926
  PAW double counting   =    100990.94534368  -100889.98638772
  entropy T*S    EENTRO =        -0.00659845
  eigenvalues    EBANDS =       -35.20358885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90423061 eV

  energy without entropy =      -13.89763216  energy(sigma->0) =      -13.90203113
  exchange ACFDT corr.  =        -0.00593707  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2373: real time      1.2427
    TRIAL :  cpu time    589.6041: real time    594.6021
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2654: real time      0.2676
    --------------------------------------------
      LOOP:  cpu time    591.8340: real time    596.8458

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1122322E-04  (-0.6711248E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009462 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48828181
  -exchange      EXHF   =        33.25706949
  -V(xc)+E(xc)   XCENC  =       -83.55182617
  PAW double counting   =    100992.06571643  -100891.10676592
  entropy T*S    EENTRO =        -0.00659861
  eigenvalues    EBANDS =       -35.20156843
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90424183 eV

  energy without entropy =      -13.89764322  energy(sigma->0) =      -13.90204230
  exchange ACFDT corr.  =        -0.00593722  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7276
    SETDIJ:  cpu time      1.2334: real time      1.2391
    TRIAL :  cpu time    590.1488: real time    595.1827
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    592.3728: real time    597.4205

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3158209E-04  ( 0.1543057E-05)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009458 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48751449
  -exchange      EXHF   =        33.25706811
  -V(xc)+E(xc)   XCENC  =       -83.55182692
  PAW double counting   =    100992.87467398  -100891.91572257
  entropy T*S    EENTRO =        -0.00659870
  eigenvalues    EBANDS =       -35.20236594
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427342 eV

  energy without entropy =      -13.89767471  energy(sigma->0) =      -13.90207385
  exchange ACFDT corr.  =        -0.00593735  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7275
    SETDIJ:  cpu time      1.2370: real time      1.2427
    TRIAL :  cpu time    591.0649: real time    596.0995
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2633: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    593.2914: real time    598.3402

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7162118E-05  (-0.2521400E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009455 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48719377
  -exchange      EXHF   =        33.25706852
  -V(xc)+E(xc)   XCENC  =       -83.55182696
  PAW double counting   =    100993.53766350  -100892.57870921
  entropy T*S    EENTRO =        -0.00659882
  eigenvalues    EBANDS =       -35.20268265
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426625 eV

  energy without entropy =      -13.89766743  energy(sigma->0) =      -13.90206665
  exchange ACFDT corr.  =        -0.00593743  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     39(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2326: real time      1.2385
    TRIAL :  cpu time    589.3963: real time    594.4345
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    592.2379: real time    597.2842
    CHARGE:  cpu time      0.2651: real time      0.2673
    --------------------------------------------
      LOOP:  cpu time   1183.8597: real time   1193.9583

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3471869E-05  (-0.7274117E-05)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009452 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.54662877
  -Hartree energ DENC   =      -700.48787476
  -exchange      EXHF   =        33.25707209
  -V(xc)+E(xc)   XCENC  =       -83.55182561
  PAW double counting   =    100994.11574231  -100893.15679003
  entropy T*S    EENTRO =        -0.00659893
  eigenvalues    EBANDS =       -35.20200803
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426973 eV

  energy without entropy =      -13.89767080  energy(sigma->0) =      -13.90207008
  exchange ACFDT corr.  =        -0.00593753  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0237


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8820       2 -69.7636       3 -69.7687       4 -69.7868       5 -69.9134
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1217     alpha+bet : -8.9779

 Fermi energy:         3.1544372541

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8929      1.00000
      2      -9.9634      1.00000
      3      -8.6079      1.00000
      4      -6.7729      1.00000
      5      -4.3310      1.00000
      6      -1.5900      1.00000
      7       1.6308      1.00000
      8       4.6167     -0.00000
      9       5.4039     -0.00000
     10       7.9253     -0.00000
     11       7.9819     -0.00000
     12      11.8861      0.00000
     13      12.1831      0.00000
     14      16.0571      0.00000
     15      16.0613      0.00000
     16      16.0671      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7593      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7622      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4990      0.00000
     16      12.7841      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5916      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5925      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5953      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5113      0.00000
     16      10.8157      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5113      0.00000
     16      10.8153      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5113      0.00000
     16      10.8154      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3995      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3987      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3987      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6240      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6233      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6238      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8129     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0352      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0348      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0426      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8129     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0394      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8129     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0349      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0359      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0380      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0481      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0466      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8290      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8336      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8272      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8574      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8514      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8636      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6662      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6799      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6806      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6809      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2298     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2306     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2302     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2303     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2302     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2437     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8711      1.00000
      2      -0.8710      1.00000
      3      -0.8419      1.00000
      4      -0.0075      1.00000
      5       0.0877      1.00000
      6       0.0885      1.00000
      7       1.1048      1.00000
      8       1.1083      1.00000
      9       1.7992      1.00000
     10       2.6677      1.00155
     11       4.0759     -0.00000
     12       4.0897     -0.00000
     13       5.9835     -0.00000
     14       5.9908     -0.00000
     15       6.0696     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1544372541

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8929      1.00000
      2      -9.9634      1.00000
      3      -8.6079      1.00000
      4      -6.7729      1.00000
      5      -4.3310      1.00000
      6      -1.5900      1.00000
      7       1.6308      1.00000
      8       4.6167     -0.00000
      9       5.4039     -0.00000
     10       7.9253     -0.00000
     11       7.9819     -0.00000
     12      11.8861      0.00000
     13      12.1831      0.00000
     14      16.0583      0.00000
     15      16.0613      0.00000
     16      16.0707      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7543      1.00000
      3      -8.3978      1.00000
      4      -6.5611      1.00000
      5      -4.1150      1.00000
      6      -1.3799      1.00000
      7       1.8443      1.00000
      8       4.7997     -0.00000
      9       5.5783     -0.00000
     10       8.0932     -0.00000
     11       8.1470     -0.00000
     12      12.0157      0.00000
     13      12.2780      0.00000
     14      13.1204      0.00000
     15      13.8748      0.00000
     16      14.3209      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4990      0.00000
     16      12.7716      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7596      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0591      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9256      1.00000
      5      -3.4684      1.00000
      6      -0.7509      1.00000
      7       2.4701      1.00001
      8       5.3320     -0.00000
      9       6.0962     -0.00000
     10       8.4758     -0.00000
     11       8.6223      0.00000
     12       9.7267      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7638      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5919      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5946      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0799      1.00000
      3      -6.7148      1.00000
      4      -4.8666      1.00000
      5      -2.3968      1.00000
      6       0.2865      1.00000
      7       3.4257     -0.03324
      8       5.6433     -0.00000
      9       6.5355     -0.00000
     10       6.8863     -0.00000
     11       7.0428     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5731      0.00000
     15       9.8006      0.00000
     16      11.5929      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5113      0.00000
     16      10.8156      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8165      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3876      1.00000
      5      -0.9310      1.00000
      6       1.5768      1.00000
      7       2.5434      1.00007
      8       3.5489     -0.00874
      9       4.8142     -0.00000
     10       5.1417     -0.00000
     11       6.5097     -0.00000
     12       7.6393     -0.00000
     13       8.2059     -0.00000
     14       8.7144      0.00000
     15      10.5114      0.00000
     16      10.8162      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3988      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5334      1.00000
      5      -0.6728      1.00000
      6       0.1399      1.00000
      7       1.1218      1.00000
      8       2.0271      1.00000
      9       3.6383     -0.00165
     10       3.7397     -0.00014
     11       5.9354     -0.00000
     12       6.7166     -0.00000
     13       8.2346     -0.00000
     14       9.1854      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3676      1.00000
      2      -3.3504      1.00000
      3      -2.4164      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6259      1.00000
      8       1.3686      1.00000
      9       3.3874     -0.03485
     10       3.5296     -0.01170
     11       5.6723     -0.00000
     12       6.0179     -0.00000
     13       8.4161     -0.00000
     14       8.8657      0.00000
     15      10.2312      0.00000
     16      10.5334      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6232      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6228      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2676      1.00000
      2      -9.3360      1.00000
      3      -7.9774      1.00000
      4      -6.1375      1.00000
      5      -3.6837      1.00000
      6      -0.9603      1.00000
      7       2.2644      1.00000
      8       5.1591     -0.00000
      9       5.9250     -0.00000
     10       8.4180     -0.00000
     11       8.4556     -0.00000
     12      11.4239      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0401      0.00000
     16      12.6486      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4335      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2902      1.00000
      5      -2.8242      1.00000
      6      -0.1254      1.00000
      7       3.0689      0.82789
      8       5.8129     -0.00000
      9       6.5935     -0.00000
     10       7.8539     -0.00000
     11       8.6101     -0.00000
     12       8.9981      0.00000
     13       9.4160      0.00000
     14       9.8475      0.00000
     15      10.1798      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0348      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0354      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8129     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0349      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0349      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8129     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0993      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1810      1.00000
      2      -7.2413      1.00000
      3      -5.8720      1.00000
      4      -4.0203      1.00000
      5      -1.5496      1.00000
      6       1.0925      1.00000
      7       3.8130     -0.00002
      8       4.6889     -0.00000
      9       5.4277     -0.00000
     10       6.5178     -0.00000
     11       7.0764     -0.00000
     12       7.6895     -0.00000
     13       8.1704     -0.00000
     14       8.8930      0.00000
     15       9.6174      0.00000
     16      10.0358      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99278
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99278
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5071      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3410      1.00000
      5       0.0197      1.00000
      6       0.9988      1.00000
      7       1.9963      1.00000
      8       2.9923      0.99279
      9       3.5323     -0.01123
     10       5.1823     -0.00000
     11       5.9102     -0.00000
     12       7.3293     -0.00000
     13       7.9812     -0.00000
     14       8.6426      0.00000
     15       9.0972      0.00000
     16       9.1405      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.6999      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4086      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8972      1.00000
      5      -1.0187      1.00000
      6      -0.3640      1.00000
      7       0.6475      1.00000
      8       2.2831      1.00000
      9       2.6608      1.00133
     10       4.7408     -0.00000
     11       4.8998     -0.00000
     12       7.0253     -0.00000
     13       7.4920     -0.00000
     14       8.0210     -0.00000
     15       8.8631      0.00000
     16       9.7000      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0406      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0399      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4512      1.00000
      3      -6.0829      1.00000
      4      -4.2316      1.00000
      5      -1.7592      1.00000
      6       0.9007      1.00000
      7       3.9647     -0.00000
      8       6.0162     -0.00000
      9       6.4946     -0.00000
     10       7.2384     -0.00000
     11       7.3124     -0.00000
     12       7.5157     -0.00000
     13       7.5961     -0.00000
     14       8.3886     -0.00000
     15       8.7497      0.00000
     16      10.0411      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9266      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7560      1.00000
      5      -0.3110      1.00000
      6       2.1618      1.00000
      7       3.1324      0.59327
      8       4.1232     -0.00000
      9       5.0896     -0.00000
     10       5.3679     -0.00000
     11       5.9176     -0.00000
     12       6.4959     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4032     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8381      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8241      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8339      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8421      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8375      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0399      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9154      1.00000
      5      -0.0563      1.00000
      6       0.7419      1.00000
      7       1.7123      1.00000
      8       2.5986      1.00031
      9       4.0699     -0.00000
     10       4.2595     -0.00000
     11       4.8650     -0.00000
     12       5.7462     -0.00000
     13       6.6321     -0.00000
     14       7.4058     -0.00000
     15       7.5320     -0.00000
     16       8.8622      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7419      1.00000
      2      -2.7243      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6668      1.00000
      6      -0.2790      1.00000
      7       1.2262      1.00000
      8       1.9613      1.00000
      9       3.7808     -0.00004
     10       3.8999     -0.00000
     11       4.7230     -0.00000
     12       5.7691     -0.00000
     13       6.3917     -0.00000
     14       6.7593     -0.00000
     15       7.1341     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6801      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6799      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2504      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0983      1.00000
      5       1.1540      1.00000
      6       2.0983      1.00000
      7       2.2619      1.00000
      8       3.0018      0.97997
      9       3.4674     -0.02471
     10       4.2375     -0.00000
     11       4.4911     -0.00000
     12       4.8622     -0.00000
     13       6.1983     -0.00000
     14       6.8407     -0.00000
     15       7.2571     -0.00000
     16       8.6801      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2301     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40109
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40109
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2312     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1526      1.00000
      2      -2.2057      1.00000
      3      -0.8653      1.00000
      4      -0.6511      1.00000
      5       0.2042      1.00000
      6       0.8184      1.00000
      7       1.7543      1.00000
      8       1.8340      1.00000
      9       2.5775      1.00018
     10       3.1779      0.40110
     11       4.1326     -0.00000
     12       4.6636     -0.00000
     13       6.0482     -0.00000
     14       6.1454     -0.00000
     15       6.3629     -0.00000
     16       8.2307     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8711      1.00000
      2      -0.8710      1.00000
      3      -0.8419      1.00000
      4      -0.0075      1.00000
      5       0.0877      1.00000
      6       0.0885      1.00000
      7       1.1048      1.00000
      8       1.1083      1.00000
      9       1.7992      1.00000
     10       2.6677      1.00155
     11       4.0759     -0.00000
     12       4.0897     -0.00000
     13       5.9835     -0.00000
     14       5.9908     -0.00000
     15       6.0696     -0.00000
     16       8.0139     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.767  23.495   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.767  23.495  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.945 -61.926   0.000  -0.146   0.000  -0.000  -0.012  -0.000
-61.926  33.075  -0.000   0.069  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.066   0.000  -0.000  -0.321  -0.000   0.000
 -0.146   0.069   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.066   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.9504: real time    426.0439
    FORNL :  cpu time      0.4995: real time      0.5055
    FORCOR:  cpu time      1.9606: real time      1.9721
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.498E-05 -.302E-05 0.182E+03   0.399E-13 0.244E-13 -.181E+03   -.553E-05 0.338E-05 -.108E+01
   0.436E-06 0.358E-05 0.923E+02   0.616E-15 0.807E-14 -.922E+02   -.893E-06 -.372E-05 -.664E-01
   0.256E-05 0.264E-05 -.147E+00   -.143E-12 -.862E-13 0.140E+00   -.272E-05 -.243E-05 0.119E-01
   0.290E-06 0.309E-05 -.924E+02   0.137E-12 0.792E-13 0.923E+02   -.136E-05 -.356E-05 0.953E-01
   0.235E-05 -.569E-05 -.181E+03   -.440E-13 -.223E-13 0.181E+03   -.218E-05 0.631E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.116E-04 0.779E-06 -.386E-02   -.971E-14 0.313E-14 0.284E-13   -.127E-04 -.189E-07 0.318E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.034102
      0.00000      0.00000      2.36706        -0.000000     -0.000000      0.001740
      1.42873      0.82488      4.68139        -0.000001     -0.000000      0.004723
      2.85746      1.64976      6.99778        -0.000000     -0.000000      0.009691
      0.00000      0.00000      9.37287         0.000001      0.000000      0.017947
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000001     -0.000514


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90426973 eV

  energy  without entropy=      -13.89767080  energy(sigma->0) =      -13.90207008
 
 d Force = 0.2468654E-05[ 0.267E-05, 0.226E-05]  d Energy = 0.6762857E-06 0.179E-05
 d Force = 0.1861684E-01[ 0.186E-01, 0.186E-01]  d Ewald  = 0.1861684E-01 0.102E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9569: real time      1.9685


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.213E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1134
 eigenvalue spectrum of G is  0.1134


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0802
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9536: real time      1.9657
    EDDIAG:  cpu time    591.7894: real time    596.7902
    CHARGE:  cpu time      0.2654: real time      0.2676
 writing wavefunctions
     LOOP+:  cpu time   8127.2945: real time   8196.0168


--------------------------------------- Iteration     40(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7288
    SETDIJ:  cpu time      1.2352: real time      1.2407
    TRIAL :  cpu time    590.9442: real time    595.9613
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2635: real time      0.2656
    --------------------------------------------
      LOOP:  cpu time    593.1798: real time    598.2116

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6092509E-05  (-0.3429426E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009489 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.38829893
  -Hartree energ DENC   =      -700.36076021
  -exchange      EXHF   =        33.25648550
  -V(xc)+E(xc)   XCENC  =       -83.55201682
  PAW double counting   =    100991.06109490  -100890.10207836
  entropy T*S    EENTRO =        -0.00658677
  eigenvalues    EBANDS =       -35.17009217
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427235 eV

  energy without entropy =      -13.89768558  energy(sigma->0) =      -13.90207676
  exchange ACFDT corr.  =        -0.00592464  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     40(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2317: real time      1.2372
    TRIAL :  cpu time    591.2731: real time    596.2693
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2647: real time      0.2669
    --------------------------------------------
      LOOP:  cpu time    593.4966: real time    598.5065

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2522909E-05  (-0.2926696E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009497 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.38829893
  -Hartree energ DENC   =      -700.33637514
  -exchange      EXHF   =        33.25631832
  -V(xc)+E(xc)   XCENC  =       -83.55207464
  PAW double counting   =    100990.27476253  -100889.31574295
  entropy T*S    EENTRO =        -0.00658573
  eigenvalues    EBANDS =       -35.19425939
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427487 eV

  energy without entropy =      -13.89768914  energy(sigma->0) =      -13.90207962
  exchange ACFDT corr.  =        -0.00592254  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     40(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    589.8724: real time    594.8742
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2643: real time      0.2665
    --------------------------------------------
      LOOP:  cpu time    592.0961: real time    597.1116

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1346823E-04  (-0.3422006E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009506 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.38829893
  -Hartree energ DENC   =      -700.32260670
  -exchange      EXHF   =        33.25616813
  -V(xc)+E(xc)   XCENC  =       -83.55212568
  PAW double counting   =    100989.42513370  -100888.46611890
  entropy T*S    EENTRO =        -0.00658529
  eigenvalues    EBANDS =       -35.20783633
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90428834 eV

  energy without entropy =      -13.89770305  energy(sigma->0) =      -13.90209324
  exchange ACFDT corr.  =        -0.00592083  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     40(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2298: real time      1.2357
    TRIAL :  cpu time    590.3773: real time    595.3786
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.0794: real time    596.1225
    CHARGE:  cpu time      0.2634: real time      0.2656
    --------------------------------------------
      LOOP:  cpu time   1183.6775: real time   1193.7360

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2433037E-05  (-0.6220208E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009514 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.38829893
  -Hartree energ DENC   =      -700.32568860
  -exchange      EXHF   =        33.25611439
  -V(xc)+E(xc)   XCENC  =       -83.55214363
  PAW double counting   =    100988.97658437  -100888.01756010
  entropy T*S    EENTRO =        -0.00658441
  eigenvalues    EBANDS =       -35.20469311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90429077 eV

  energy without entropy =      -13.89770637  energy(sigma->0) =      -13.90209597
  exchange ACFDT corr.  =        -0.00591996  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1319


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9038       2 -69.7798       3 -69.7689       4 -69.7721       5 -69.8922
 
 
 
 E-fermi :   3.1547     XC(G=0):  -5.1218     alpha+bet : -8.9779

 Fermi energy:         3.1547019040

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8929      1.00000
      2      -9.9635      1.00000
      3      -8.6080      1.00000
      4      -6.7731      1.00000
      5      -4.3318      1.00000
      6      -1.5905      1.00000
      7       1.6297      1.00000
      8       4.6160     -0.00000
      9       5.4042     -0.00000
     10       7.9253     -0.00000
     11       7.9816     -0.00000
     12      11.8862      0.00000
     13      12.1827      0.00000
     14      16.0569      0.00000
     15      16.0609      0.00000
     16      16.0669      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4988      0.00000
     16      12.7590      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4988      0.00000
     16      12.7619      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4989      0.00000
     16      12.7832      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5910      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5918      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5945      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8154      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8151      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8152      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3994      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3986      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3987      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6237      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6227      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6244      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0346      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0342      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0416      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0385      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0343      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0353      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6997      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0378      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0478      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0466      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59131
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8279      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8340      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8267      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8564      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8498      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8619      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6660      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6659      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6659      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6791      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6799      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6801      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2294     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2300     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2297     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2297     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2297     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2419     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8725      1.00000
      2      -0.8693      1.00000
      3      -0.8418      1.00000
      4      -0.0074      1.00000
      5       0.0857      1.00000
      6       0.0904      1.00000
      7       1.1038      1.00000
      8       1.1094      1.00000
      9       1.7991      1.00000
     10       2.6676      1.00155
     11       4.0811     -0.00000
     12       4.0840     -0.00000
     13       5.9844     -0.00000
     14       5.9885     -0.00000
     15       6.0687     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1547019040

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8929      1.00000
      2      -9.9635      1.00000
      3      -8.6080      1.00000
      4      -6.7731      1.00000
      5      -4.3318      1.00000
      6      -1.5905      1.00000
      7       1.6297      1.00000
      8       4.6160     -0.00000
      9       5.4042     -0.00000
     10       7.9253     -0.00000
     11       7.9816     -0.00000
     12      11.8862      0.00000
     13      12.1827      0.00000
     14      16.0585      0.00000
     15      16.0616      0.00000
     16      16.0701      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6845      1.00000
      2      -9.7544      1.00000
      3      -8.3978      1.00000
      4      -6.5613      1.00000
      5      -4.1159      1.00000
      6      -1.3804      1.00000
      7       1.8432      1.00000
      8       4.7990     -0.00000
      9       5.5786     -0.00000
     10       8.0933     -0.00000
     11       8.1467     -0.00000
     12      12.0159      0.00000
     13      12.2776      0.00000
     14      13.1204      0.00000
     15      13.8746      0.00000
     16      14.3208      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4990      0.00000
     16      12.7708      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4988      0.00000
     16      12.7593      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1268      1.00000
      3      -7.7671      1.00000
      4      -5.9259      1.00000
      5      -3.4693      1.00000
      6      -0.7514      1.00000
      7       2.4690      1.00001
      8       5.3314     -0.00000
      9       6.0965     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7266      0.00000
     13      10.2939      0.00000
     14      11.3881      0.00000
     15      12.4988      0.00000
     16      12.7633      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5912      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5939      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0161      1.00000
      2      -8.0800      1.00000
      3      -6.7148      1.00000
      4      -4.8668      1.00000
      5      -2.3976      1.00000
      6       0.2861      1.00000
      7       3.4248     -0.03334
      8       5.6431     -0.00000
      9       6.5353     -0.00000
     10       6.8861     -0.00000
     11       7.0431     -0.00000
     12       8.0753     -0.00000
     13       9.3955      0.00000
     14       9.5729      0.00000
     15       9.8004      0.00000
     16      11.5922      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8154      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8162      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5536      1.00000
      2      -6.6113      1.00000
      3      -5.2393      1.00000
      4      -3.3879      1.00000
      5      -0.9318      1.00000
      6       1.5765      1.00000
      7       2.5435      1.00007
      8       3.5488     -0.00868
      9       4.8142     -0.00000
     10       5.1408     -0.00000
     11       6.5095     -0.00000
     12       7.6387     -0.00000
     13       8.2062     -0.00000
     14       8.7137      0.00000
     15      10.5113      0.00000
     16      10.8158      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3987      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3988      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6677      1.00000
      2      -4.7184      1.00000
      3      -3.3455      1.00000
      4      -1.5337      1.00000
      5      -0.6726      1.00000
      6       0.1397      1.00000
      7       1.1213      1.00000
      8       2.0269      1.00000
      9       3.6381     -0.00165
     10       3.7392     -0.00014
     11       5.9347     -0.00000
     12       6.7157     -0.00000
     13       8.2342     -0.00000
     14       9.1849      0.00000
     15       9.7452      0.00000
     16      10.3988      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3675      1.00000
      2      -3.3502      1.00000
      3      -2.4165      1.00000
      4      -2.4134      1.00000
      5      -1.2810      1.00000
      6      -0.8918      1.00000
      7       0.6257      1.00000
      8       1.3683      1.00000
      9       3.3867     -0.03481
     10       3.5288     -0.01177
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4153     -0.00000
     14       8.8650      0.00000
     15      10.2311      0.00000
     16      10.5330      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6235      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6222      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3361      1.00000
      3      -7.9774      1.00000
      4      -6.1377      1.00000
      5      -3.6846      1.00000
      6      -0.9608      1.00000
      7       2.2633      1.00000
      8       5.1585     -0.00000
      9       5.9253     -0.00000
     10       8.4181     -0.00000
     11       8.4554     -0.00000
     12      11.4238      0.00000
     13      11.4395      0.00000
     14      11.8998      0.00000
     15      12.0400      0.00000
     16      12.6461      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4334      1.00000
      2      -8.4989      1.00000
      3      -7.1359      1.00000
      4      -5.2904      1.00000
      5      -2.8250      1.00000
      6      -0.1259      1.00000
      7       3.0679      0.83007
      8       5.8123     -0.00000
      9       6.5938     -0.00000
     10       7.8540     -0.00000
     11       8.6100     -0.00000
     12       8.9982      0.00000
     13       9.4159      0.00000
     14       9.8474      0.00000
     15      10.1797      0.00000
     16      10.7379      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0343      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0348      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0344      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0344      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0947      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1809      1.00000
      2      -7.2414      1.00000
      3      -5.8720      1.00000
      4      -4.0205      1.00000
      5      -1.5504      1.00000
      6       1.0921      1.00000
      7       3.8126     -0.00002
      8       4.6885     -0.00000
      9       5.4276     -0.00000
     10       6.5178     -0.00000
     11       7.0759     -0.00000
     12       7.6897     -0.00000
     13       8.1702     -0.00000
     14       8.8931      0.00000
     15       9.6172      0.00000
     16      10.0352      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5070      1.00000
      2      -5.5605      1.00000
      3      -4.1857      1.00000
      4      -2.3412      1.00000
      5       0.0190      1.00000
      6       0.9989      1.00000
      7       1.9962      1.00000
      8       2.9919      0.99285
      9       3.5323     -0.01120
     10       5.1821     -0.00000
     11       5.9094     -0.00000
     12       7.3287     -0.00000
     13       7.9810     -0.00000
     14       8.6423      0.00000
     15       9.0974      0.00000
     16       9.1403      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4085      1.00000
      2      -3.4584      1.00000
      3      -2.1022      1.00000
      4      -1.8971      1.00000
      5      -1.0187      1.00000
      6      -0.3642      1.00000
      7       0.6474      1.00000
      8       2.2827      1.00000
      9       2.6603      1.00133
     10       4.7402     -0.00000
     11       4.8993     -0.00000
     12       7.0250     -0.00000
     13       7.4916     -0.00000
     14       8.0207     -0.00000
     15       8.8628      0.00000
     16       9.6997      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0400      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0400      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3900      1.00000
      2      -7.4513      1.00000
      3      -6.0829      1.00000
      4      -4.2319      1.00000
      5      -1.7600      1.00000
      6       0.9003      1.00000
      7       3.9638     -0.00000
      8       6.0161     -0.00000
      9       6.4946     -0.00000
     10       7.2383     -0.00000
     11       7.3122     -0.00000
     12       7.5155     -0.00000
     13       7.5963     -0.00000
     14       8.3886     -0.00000
     15       8.7496      0.00000
     16      10.0408      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59131
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59130
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9265      1.00000
      2      -5.9817      1.00000
      3      -4.6073      1.00000
      4      -2.7562      1.00000
      5      -0.3118      1.00000
      6       2.1615      1.00000
      7       3.1324      0.59131
      8       4.1232     -0.00000
      9       5.0893     -0.00000
     10       5.3679     -0.00000
     11       5.9172     -0.00000
     12       6.4957     -0.00000
     13       7.0112     -0.00000
     14       7.7623     -0.00000
     15       8.4026     -0.00000
     16       8.7502      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8373      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8234      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8343      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8425      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5311     -0.00000
     16       8.8377      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0398      1.00000
      2      -4.0893      1.00000
      3      -2.7171      1.00000
      4      -0.9156      1.00000
      5      -0.0562      1.00000
      6       0.7417      1.00000
      7       1.7118      1.00000
      8       2.5985      1.00031
      9       4.0697     -0.00000
     10       4.2592     -0.00000
     11       4.8650     -0.00000
     12       5.7460     -0.00000
     13       6.6317     -0.00000
     14       7.4056     -0.00000
     15       7.5312     -0.00000
     16       8.8608      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6658      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6658      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7418      1.00000
      2      -2.7242      1.00000
      3      -1.8015      1.00000
      4      -1.7824      1.00000
      5      -0.6667      1.00000
      6      -0.2790      1.00000
      7       1.2260      1.00000
      8       1.9611      1.00000
      9       3.7802     -0.00004
     10       3.8993     -0.00000
     11       4.7229     -0.00000
     12       5.7689     -0.00000
     13       6.3914     -0.00000
     14       6.7588     -0.00000
     15       7.1341     -0.00000
     16       8.6658      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6793      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6791      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2503      1.00000
      2      -4.3002      1.00000
      3      -2.9252      1.00000
      4      -1.0985      1.00000
      5       1.1534      1.00000
      6       2.0983      1.00000
      7       2.2620      1.00000
      8       3.0018      0.97935
      9       3.4672     -0.02463
     10       4.2375     -0.00000
     11       4.4909     -0.00000
     12       4.8621     -0.00000
     13       6.1981     -0.00000
     14       6.8405     -0.00000
     15       7.2562     -0.00000
     16       8.6793      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2297     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2299     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40108
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2298     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40108
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2307     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2299     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1525      1.00000
      2      -2.2058      1.00000
      3      -0.8652      1.00000
      4      -0.6510      1.00000
      5       0.2042      1.00000
      6       0.8183      1.00000
      7       1.7543      1.00000
      8       1.8339      1.00000
      9       2.5774      1.00018
     10       3.1778      0.40109
     11       4.1322     -0.00000
     12       4.6634     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3622     -0.00000
     16       8.2301     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8725      1.00000
      2      -0.8693      1.00000
      3      -0.8418      1.00000
      4      -0.0074      1.00000
      5       0.0857      1.00000
      6       0.0904      1.00000
      7       1.1038      1.00000
      8       1.1094      1.00000
      9       1.7991      1.00000
     10       2.6676      1.00155
     11       4.0811     -0.00000
     12       4.0840     -0.00000
     13       5.9844     -0.00000
     14       5.9885     -0.00000
     15       6.0687     -0.00000
     16       8.0137     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.769  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.925   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.925  33.074  -0.000   0.069  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.066   0.000  -0.000  -0.321  -0.000   0.000
 -0.147   0.069   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.066   0.000  -0.000  -0.321
 -0.000   0.000  -0.321  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.321  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.7469: real time    425.7938
    FORNL :  cpu time      0.4984: real time      0.5044
    FORCOR:  cpu time      1.9559: real time      1.9678
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.126E-05 0.939E-06 0.182E+03   0.378E-13 0.308E-13 -.181E+03   -.148E-05 -.121E-05 -.108E+01
   -.474E-06 0.117E-05 0.922E+02   0.100E-13 0.292E-14 -.922E+02   0.745E-06 -.136E-05 -.691E-01
   0.667E-06 0.892E-06 -.148E+00   -.148E-12 -.885E-13 0.135E+00   -.668E-06 -.782E-06 0.657E-02
   0.260E-06 0.136E-05 -.924E+02   0.131E-12 0.837E-13 0.923E+02   -.471E-06 -.215E-05 0.902E-01
   -.228E-05 -.270E-05 -.181E+03   -.411E-13 -.257E-13 0.180E+03   0.221E-05 0.337E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   -.771E-07 0.208E-05 -.117E-01   -.971E-14 0.313E-14 -.284E-13   0.330E-06 -.212E-05 -.142E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.027254
      0.00000      0.00000      2.36731         0.000000     -0.000000      0.001619
      1.42873      0.82488      4.68189         0.000000      0.000000     -0.001186
      2.85746      1.64976      6.99840         0.000000     -0.000000      0.004442
      0.00000      0.00000      9.37356        -0.000000      0.000000      0.022380
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.027003


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90429077 eV

  energy  without entropy=      -13.89770637  energy(sigma->0) =      -13.90209597
 
 d Force = 0.1952497E-04[ 0.179E-04, 0.211E-04]  d Energy = 0.2104482E-04-0.152E-05
 d Force = 0.1583298E+00[ 0.158E+00, 0.158E+00]  d Ewald  = 0.1583298E+00-0.149E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9520: real time      1.9636


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.253E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.9111
 eigenvalue spectrum of G is  0.9111  0.9111


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0770
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9516: real time      1.9641
    EDDIAG:  cpu time    593.0200: real time    598.0879
    CHARGE:  cpu time      0.2645: real time      0.2684
 writing wavefunctions
     LOOP+:  cpu time   3985.8697: real time   4019.4249


--------------------------------------- Iteration     41(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7294
    SETDIJ:  cpu time      1.2304: real time      1.2361
    TRIAL :  cpu time    589.0003: real time    594.0559
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2648: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time    591.2334: real time    596.3037

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8218612E-03  (-0.3519592E-02)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009589 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.10857300
  -exchange      EXHF   =        33.25504256
  -V(xc)+E(xc)   XCENC  =       -83.55248757
  PAW double counting   =    100982.19870497  -100881.23957165
  entropy T*S    EENTRO =        -0.00657833
  eigenvalues    EBANDS =       -35.16578961
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90346648 eV

  energy without entropy =      -13.89688814  energy(sigma->0) =      -13.90127370
  exchange ACFDT corr.  =        -0.00590185  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2294: real time      1.2352
    TRIAL :  cpu time    588.1974: real time    593.2530
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2632: real time      0.2654
    --------------------------------------------
      LOOP:  cpu time    590.4176: real time    595.4874

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3311929E-03  (-0.2888129E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009603 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.11233690
  -exchange      EXHF   =        33.25484779
  -V(xc)+E(xc)   XCENC  =       -83.55255514
  PAW double counting   =    100982.21222509  -100881.25310415
  entropy T*S    EENTRO =        -0.00657994
  eigenvalues    EBANDS =       -35.16141736
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90313528 eV

  energy without entropy =      -13.89655534  energy(sigma->0) =      -13.90094197
  exchange ACFDT corr.  =        -0.00590148  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7286
    SETDIJ:  cpu time      1.2289: real time      1.2347
    TRIAL :  cpu time    591.7162: real time    596.7687
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2639: real time      0.2660
    --------------------------------------------
      LOOP:  cpu time    593.9366: real time    599.0032

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1095851E-02  ( 0.4231689E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009623 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08731901
  -exchange      EXHF   =        33.25455258
  -V(xc)+E(xc)   XCENC  =       -83.55265871
  PAW double counting   =    100980.72991215  -100879.77079904
  entropy T*S    EENTRO =        -0.00657832
  eigenvalues    EBANDS =       -35.18712287
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90423113 eV

  energy without entropy =      -13.89765282  energy(sigma->0) =      -13.90203836
  exchange ACFDT corr.  =        -0.00590023  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7274
    SETDIJ:  cpu time      1.2290: real time      1.2344
    TRIAL :  cpu time    591.3804: real time    596.3739
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2642: real time      0.2663
    --------------------------------------------
      LOOP:  cpu time    593.5998: real time    598.6070

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5739061E-04  (-0.5859229E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009643 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.06912499
  -exchange      EXHF   =        33.25438129
  -V(xc)+E(xc)   XCENC  =       -83.55272115
  PAW double counting   =    100979.29966212  -100878.34054279
  entropy T*S    EENTRO =        -0.00657654
  eigenvalues    EBANDS =       -35.20503363
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90417374 eV

  energy without entropy =      -13.89759721  energy(sigma->0) =      -13.90198156
  exchange ACFDT corr.  =        -0.00589757  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2295: real time      1.2348
    TRIAL :  cpu time    588.6404: real time    593.6290
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2637: real time      0.2658
    --------------------------------------------
      LOOP:  cpu time    590.8606: real time    595.8627

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5113543E-05  (-0.3655061E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009656 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.06859770
  -exchange      EXHF   =        33.25435924
  -V(xc)+E(xc)   XCENC  =       -83.55273119
  PAW double counting   =    100978.66027267  -100877.70116499
  entropy T*S    EENTRO =        -0.00657473
  eigenvalues    EBANDS =       -35.20551384
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90416863 eV

  energy without entropy =      -13.89759390  energy(sigma->0) =      -13.90197705
  exchange ACFDT corr.  =        -0.00589571  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7273
    SETDIJ:  cpu time      1.2301: real time      1.2355
    TRIAL :  cpu time    588.9334: real time    593.9381
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2637: real time      0.2659
    --------------------------------------------
      LOOP:  cpu time    591.1537: real time    596.1721

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1530270E-03  ( 0.9664029E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009662 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.07398695
  -exchange      EXHF   =        33.25439819
  -V(xc)+E(xc)   XCENC  =       -83.55271715
  PAW double counting   =    100978.71033871  -100877.75123945
  entropy T*S    EENTRO =        -0.00657288
  eigenvalues    EBANDS =       -35.20032399
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432166 eV

  energy without entropy =      -13.89774878  energy(sigma->0) =      -13.90213070
  exchange ACFDT corr.  =        -0.00589441  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    586.9221: real time    591.9301
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2639: real time      0.2661
    --------------------------------------------
      LOOP:  cpu time    589.1433: real time    594.1651

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1833476E-04  (-0.9595205E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009662 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08118831
  -exchange      EXHF   =        33.25445347
  -V(xc)+E(xc)   XCENC  =       -83.55269639
  PAW double counting   =    100979.51295668  -100878.55385129
  entropy T*S    EENTRO =        -0.00657122
  eigenvalues    EBANDS =       -35.19318831
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90430332 eV

  energy without entropy =      -13.89773210  energy(sigma->0) =      -13.90211292
  exchange ACFDT corr.  =        -0.00589319  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2315: real time      1.2370
    TRIAL :  cpu time    587.5167: real time    592.5408
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2655: real time      0.2677
    --------------------------------------------
      LOOP:  cpu time    589.7409: real time    594.7786

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6437520E-05  (-0.4363019E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009658 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08441354
  -exchange      EXHF   =        33.25448618
  -V(xc)+E(xc)   XCENC  =       -83.55268366
  PAW double counting   =    100980.78713282  -100879.82802679
  entropy T*S    EENTRO =        -0.00656976
  eigenvalues    EBANDS =       -35.19001727
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90430976 eV

  energy without entropy =      -13.89774000  energy(sigma->0) =      -13.90211984
  exchange ACFDT corr.  =        -0.00589194  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2382: real time      1.2436
    TRIAL :  cpu time    590.0706: real time    595.1044
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2644: real time      0.2666
    --------------------------------------------
      LOOP:  cpu time    592.3001: real time    597.3476

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2036215E-04  ( 0.6806479E-06)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009651 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08259128
  -exchange      EXHF   =        33.25448414
  -V(xc)+E(xc)   XCENC  =       -83.55268335
  PAW double counting   =    100982.13096091  -100881.17185567
  entropy T*S    EENTRO =        -0.00656868
  eigenvalues    EBANDS =       -35.19185881
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433012 eV

  energy without entropy =      -13.89776145  energy(sigma->0) =      -13.90214056
  exchange ACFDT corr.  =        -0.00589067  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2292: real time      1.2344
    TRIAL :  cpu time    587.6032: real time    592.6227
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2657: real time      0.2678
    --------------------------------------------
      LOOP:  cpu time    589.8247: real time    594.8579

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3645415E-05  (-0.1540913E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009644 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08154299
  -exchange      EXHF   =        33.25447122
  -V(xc)+E(xc)   XCENC  =       -83.55268694
  PAW double counting   =    100983.53339634  -100882.57429782
  entropy T*S    EENTRO =        -0.00656784
  eigenvalues    EBANDS =       -35.19288132
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432648 eV

  energy without entropy =      -13.89775863  energy(sigma->0) =      -13.90213720
  exchange ACFDT corr.  =        -0.00588957  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     41(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7290
    SETDIJ:  cpu time      1.2300: real time      1.2355
    TRIAL :  cpu time    590.5651: real time    595.6091
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    585.8136: real time    590.7906
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1178.6011: real time   1188.6363

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2082641E-05  (-0.5177122E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009637 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13439947
  -Hartree energ DENC   =      -700.08173222
  -exchange      EXHF   =        33.25444384
  -V(xc)+E(xc)   XCENC  =       -83.55269097
  PAW double counting   =    100984.90905628  -100883.94997484
  entropy T*S    EENTRO =        -0.00656700
  eigenvalues    EBANDS =       -35.19266064
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432856 eV

  energy without entropy =      -13.89776156  energy(sigma->0) =      -13.90213956
  exchange ACFDT corr.  =        -0.00588864  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1667


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8849       2 -69.7659       3 -69.7691       4 -69.7850       5 -69.9105
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1221     alpha+bet : -8.9779

 Fermi energy:         3.1545023509

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8916      1.00000
      2      -9.9617      1.00000
      3      -8.6070      1.00000
      4      -6.7734      1.00000
      5      -4.3324      1.00000
      6      -1.5906      1.00000
      7       1.6283      1.00000
      8       4.6146     -0.00000
      9       5.4035     -0.00000
     10       7.9249     -0.00000
     11       7.9807     -0.00000
     12      11.8857      0.00000
     13      12.1821      0.00000
     14      16.0582      0.00000
     15      16.0625      0.00000
     16      16.0684      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4983      0.00000
     16      12.7587      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4983      0.00000
     16      12.7612      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4984      0.00000
     16      12.7814      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5907      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5914      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5938      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8145      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8142      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8143      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4000      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4001      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0415      0.00000
     16      12.6232      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0415      0.00000
     16      12.6226      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0414      0.00000
     16      12.6231      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0340      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0392      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0370      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0338      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0344      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4958     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0370      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4959     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0471      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4959     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0463      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8280      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8324      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8263      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8553      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8495      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8619      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6658      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6658      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6786      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6792      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6794      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2292     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40053
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2298     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2295     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2295     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2295     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2389     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8696      1.00000
      2      -0.8694      1.00000
      3      -0.8403      1.00000
      4      -0.0058      1.00000
      5       0.0900      1.00000
      6       0.0903      1.00000
      7       1.1065      1.00000
      8       1.1092      1.00000
      9       1.8000      1.00000
     10       2.6677      1.00155
     11       4.0766     -0.00000
     12       4.0881     -0.00000
     13       5.9827     -0.00000
     14       5.9892     -0.00000
     15       6.0684     -0.00000
     16       8.0132     -0.00000
 Fermi energy:         3.1545023509

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8916      1.00000
      2      -9.9617      1.00000
      3      -8.6070      1.00000
      4      -6.7734      1.00000
      5      -4.3324      1.00000
      6      -1.5906      1.00000
      7       1.6283      1.00000
      8       4.6146     -0.00000
      9       5.4035     -0.00000
     10       7.9249     -0.00000
     11       7.9807     -0.00000
     12      11.8857      0.00000
     13      12.1821      0.00000
     14      16.0592      0.00000
     15      16.0619      0.00000
     16      16.0706      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7526      1.00000
      3      -8.3969      1.00000
      4      -6.5616      1.00000
      5      -4.1165      1.00000
      6      -1.3806      1.00000
      7       1.8418      1.00000
      8       4.7976     -0.00000
      9       5.5778     -0.00000
     10       8.0928     -0.00000
     11       8.1458     -0.00000
     12      12.0155      0.00000
     13      12.2771      0.00000
     14      13.1215      0.00000
     15      13.8763      0.00000
     16      14.3221      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4984      0.00000
     16      12.7695      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4983      0.00000
     16      12.7590      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1251      1.00000
      3      -7.7661      1.00000
      4      -5.9261      1.00000
      5      -3.4698      1.00000
      6      -0.7515      1.00000
      7       2.4677      1.00001
      8       5.3301     -0.00000
      9       6.0958     -0.00000
     10       8.4755     -0.00000
     11       8.6215      0.00000
     12       9.7275      0.00000
     13      10.2956      0.00000
     14      11.3890      0.00000
     15      12.4983      0.00000
     16      12.7625      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5910      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5933      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0782      1.00000
      3      -6.7138      1.00000
      4      -4.8670      1.00000
      5      -2.3982      1.00000
      6       0.2860      1.00000
      7       3.4237     -0.03353
      8       5.6437     -0.00000
      9       6.5349     -0.00000
     10       6.8876     -0.00000
     11       7.0424     -0.00000
     12       8.0763     -0.00000
     13       9.3951      0.00000
     14       9.5724      0.00000
     15       9.8000      0.00000
     16      11.5918      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8144      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8153      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5522      1.00000
      2      -6.6095      1.00000
      3      -5.2383      1.00000
      4      -3.3880      1.00000
      5      -0.9323      1.00000
      6       1.5768      1.00000
      7       2.5447      1.00007
      8       3.5505     -0.00852
      9       4.8151     -0.00000
     10       5.1400     -0.00000
     11       6.5094     -0.00000
     12       7.6375     -0.00000
     13       8.2055     -0.00000
     14       8.7133      0.00000
     15      10.5109      0.00000
     16      10.8150      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4001      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4002      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6663      1.00000
      2      -4.7165      1.00000
      3      -3.3444      1.00000
      4      -1.5337      1.00000
      5      -0.6713      1.00000
      6       0.1412      1.00000
      7       1.1217      1.00000
      8       2.0276      1.00000
      9       3.6380     -0.00166
     10       3.7392     -0.00014
     11       5.9343     -0.00000
     12       6.7148     -0.00000
     13       8.2341     -0.00000
     14       9.1840      0.00000
     15       9.7445      0.00000
     16      10.4001      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3489      1.00000
      3      -2.4143      1.00000
      4      -2.4117      1.00000
      5      -1.2797      1.00000
      6      -0.8908      1.00000
      7       0.6257      1.00000
      8       1.3681      1.00000
      9       3.3863     -0.03473
     10       3.5283     -0.01191
     11       5.6720     -0.00000
     12       6.0174     -0.00000
     13       8.4144     -0.00000
     14       8.8644      0.00000
     15      10.2325      0.00000
     16      10.5329      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0415      0.00000
     16      12.6226      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0415      0.00000
     16      12.6222      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3343      1.00000
      3      -7.9764      1.00000
      4      -6.1379      1.00000
      5      -3.6852      1.00000
      6      -0.9609      1.00000
      7       2.2619      1.00000
      8       5.1571     -0.00000
      9       5.9246     -0.00000
     10       8.4177     -0.00000
     11       8.4545     -0.00000
     12      11.4249      0.00000
     13      11.4408      0.00000
     14      11.9009      0.00000
     15      12.0415      0.00000
     16      12.6445      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4321      1.00000
      2      -8.4971      1.00000
      3      -7.1349      1.00000
      4      -5.2906      1.00000
      5      -2.8256      1.00000
      6      -0.1260      1.00000
      7       3.0666      0.83449
      8       5.8112     -0.00000
      9       6.5931     -0.00000
     10       7.8550     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4156      0.00000
     14       9.8484      0.00000
     15      10.1807      0.00000
     16      10.7395      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0342      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0338      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0338      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0810      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1796      1.00000
      2      -7.2395      1.00000
      3      -5.8710      1.00000
      4      -4.0207      1.00000
      5      -1.5509      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6891     -0.00000
      9       5.4290     -0.00000
     10       6.5186     -0.00000
     11       7.0750     -0.00000
     12       7.6891     -0.00000
     13       8.1703     -0.00000
     14       8.8941      0.00000
     15       9.6186      0.00000
     16      10.0344      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5586      1.00000
      3      -4.1846      1.00000
      4      -2.3413      1.00000
      5       0.0188      1.00000
      6       1.0003      1.00000
      7       1.9978      1.00000
      8       2.9923      0.99273
      9       3.5332     -0.01110
     10       5.1821     -0.00000
     11       5.9085     -0.00000
     12       7.3286     -0.00000
     13       7.9815     -0.00000
     14       8.6418      0.00000
     15       9.0969      0.00000
     16       9.1415      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6995      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4071      1.00000
      2      -3.4565      1.00000
      3      -2.1011      1.00000
      4      -1.8957      1.00000
      5      -1.0169      1.00000
      6      -0.3638      1.00000
      7       0.6482      1.00000
      8       2.2825      1.00000
      9       2.6600      1.00131
     10       4.7401     -0.00000
     11       4.8991     -0.00000
     12       7.0252     -0.00000
     13       7.4917     -0.00000
     14       8.0210     -0.00000
     15       8.8641      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4959     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0392      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4959     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0392      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3886      1.00000
      2      -7.4494      1.00000
      3      -6.0819      1.00000
      4      -4.2321      1.00000
      5      -1.7606      1.00000
      6       0.9002      1.00000
      7       3.9629     -0.00000
      8       6.0167     -0.00000
      9       6.4959     -0.00000
     10       7.2393     -0.00000
     11       7.3124     -0.00000
     12       7.5173     -0.00000
     13       7.5958     -0.00000
     14       8.3897     -0.00000
     15       8.7504      0.00000
     16      10.0401      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58821
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58820
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9252      1.00000
      2      -5.9798      1.00000
      3      -4.6062      1.00000
      4      -2.7564      1.00000
      5      -0.3122      1.00000
      6       2.1618      1.00000
      7       3.1336      0.58821
      8       4.1249     -0.00000
      9       5.0899     -0.00000
     10       5.3690     -0.00000
     11       5.9179     -0.00000
     12       6.4965     -0.00000
     13       7.0115     -0.00000
     14       7.7626     -0.00000
     15       8.4018     -0.00000
     16       8.7496      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8367      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8234      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8327      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8407      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8361      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0384      1.00000
      2      -4.0874      1.00000
      3      -2.7160      1.00000
      4      -0.9156      1.00000
      5      -0.0548      1.00000
      6       0.7433      1.00000
      7       1.7122      1.00000
      8       2.5992      1.00031
      9       4.0701     -0.00000
     10       4.2591     -0.00000
     11       4.8660     -0.00000
     12       5.7473     -0.00000
     13       6.6319     -0.00000
     14       7.4061     -0.00000
     15       7.5303     -0.00000
     16       8.8602      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7229      1.00000
      3      -1.7997      1.00000
      4      -1.7803      1.00000
      5      -0.6655      1.00000
      6      -0.2780      1.00000
      7       1.2260      1.00000
      8       1.9610      1.00000
      9       3.7802     -0.00004
     10       3.8992     -0.00000
     11       4.7240     -0.00000
     12       5.7701     -0.00000
     13       6.3914     -0.00000
     14       6.7591     -0.00000
     15       7.1349     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6788      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6786      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2983      1.00000
      3      -2.9241      1.00000
      4      -1.0986      1.00000
      5       1.1533      1.00000
      6       2.0997      1.00000
      7       2.2635      1.00000
      8       3.0034      0.97768
      9       3.4690     -0.02434
     10       4.2384     -0.00000
     11       4.4913     -0.00000
     12       4.8629     -0.00000
     13       6.1981     -0.00000
     14       6.8403     -0.00000
     15       7.2551     -0.00000
     16       8.6788      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2294     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2297     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40053
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2296     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40053
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2303     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2297     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1511      1.00000
      2      -2.2038      1.00000
      3      -0.8641      1.00000
      4      -0.6495      1.00000
      5       0.2060      1.00000
      6       0.8188      1.00000
      7       1.7556      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00018
     10       3.1782      0.40054
     11       4.1320     -0.00000
     12       4.6639     -0.00000
     13       6.0477     -0.00000
     14       6.1449     -0.00000
     15       6.3619     -0.00000
     16       8.2299     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8696      1.00000
      2      -0.8694      1.00000
      3      -0.8403      1.00000
      4      -0.0058      1.00000
      5       0.0900      1.00000
      6       0.0903      1.00000
      7       1.1065      1.00000
      8       1.1092      1.00000
      9       1.8000      1.00000
     10       2.6677      1.00155
     11       4.0766     -0.00000
     12       4.0881     -0.00000
     13       5.9827     -0.00000
     14       5.9892     -0.00000
     15       6.0684     -0.00000
     16       8.0136     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.767  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.767  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.925   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.925  33.074  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.147   0.070   0.000   1.701   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.0879: real time    427.1292
    FORNL :  cpu time      0.5015: real time      0.5076
    FORCOR:  cpu time      1.9566: real time      1.9685
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.252E-05 -.110E-06 0.182E+03   0.416E-13 0.242E-13 -.181E+03   -.287E-05 0.159E-06 -.107E+01
   0.140E-05 0.236E-05 0.922E+02   0.346E-14 0.574E-14 -.922E+02   -.171E-05 -.219E-05 -.713E-01
   0.224E-05 0.642E-06 -.132E+00   -.147E-12 -.858E-13 0.127E+00   -.218E-05 -.341E-06 0.950E-02
   0.319E-06 0.166E-05 -.924E+02   0.138E-12 0.821E-13 0.923E+02   -.467E-06 -.165E-05 0.972E-01
   0.651E-06 -.199E-05 -.181E+03   -.453E-13 -.231E-13 0.180E+03   -.578E-06 0.251E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.783E-05 0.283E-05 -.934E-03   -.971E-14 0.313E-14 0.000E+00   -.780E-05 -.152E-05 -.897E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.031750
      0.00000      0.00000      2.36807        -0.000000      0.000000      0.000213
      1.42873      0.82488      4.68282        -0.000000     -0.000000      0.004172
      2.85746      1.64976      6.99935        -0.000000     -0.000000      0.011231
      0.00000      0.00000      9.37487         0.000001      0.000001      0.016135
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000001     -0.002014


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90432856 eV

  energy  without entropy=      -13.89776156  energy(sigma->0) =      -13.90213956
 
 d Force = 0.3471532E-04[ 0.358E-04, 0.336E-04]  d Energy = 0.3778897E-04-0.307E-05
 d Force = 0.2538995E+00[ 0.254E+00, 0.254E+00]  d Ewald  = 0.2538995E+00-0.210E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9511: real time      1.9629


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.195E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.3997
 eigenvalue spectrum of G is  0.3997


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2206: real time      1.2841
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0852
    POTLOK:  cpu time      1.9528: real time      1.9650
    EDDIAG:  cpu time    583.7633: real time    588.7092
    CHARGE:  cpu time      0.2645: real time      0.2666
 writing wavefunctions
     LOOP+:  cpu time   8107.5373: real time   8176.1698


--------------------------------------- Iteration     42(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7272
    SETDIJ:  cpu time      1.2308: real time      1.2366
    TRIAL :  cpu time    587.2435: real time    592.2146
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2635: real time      0.2657
    --------------------------------------------
      LOOP:  cpu time    589.4733: real time    594.4592

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9058989E-05  (-0.6993952E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009676 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.93982448
  -Hartree energ DENC   =      -699.91282123
  -exchange      EXHF   =        33.25369885
  -V(xc)+E(xc)   XCENC  =       -83.55293418
  PAW double counting   =    100981.72842962  -100880.76924240
  entropy T*S    EENTRO =        -0.00654094
  eigenvalues    EBANDS =       -35.16613248
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433554 eV

  energy without entropy =      -13.89779460  energy(sigma->0) =      -13.90215522
  exchange ACFDT corr.  =        -0.00586393  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     42(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2312: real time      1.2365
    TRIAL :  cpu time    593.2114: real time    598.2770
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    592.2915: real time    597.2961
    CHARGE:  cpu time      0.2629: real time      0.2650
    --------------------------------------------
      LOOP:  cpu time   1187.7239: real time   1197.8077

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5739450E-05  (-0.6508037E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009679 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.93982448
  -Hartree energ DENC   =      -699.89423968
  -exchange      EXHF   =        33.25338178
  -V(xc)+E(xc)   XCENC  =       -83.55298887
  PAW double counting   =    100981.73079696  -100880.77162430
  entropy T*S    EENTRO =        -0.00653952
  eigenvalues    EBANDS =       -35.18448996
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434128 eV

  energy without entropy =      -13.89780176  energy(sigma->0) =      -13.90216144
  exchange ACFDT corr.  =        -0.00586188  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1836


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8966       2 -69.7760       3 -69.7703       4 -69.7752       5 -69.8964
 
 
 
 E-fermi :   3.1548     XC(G=0):  -5.1222     alpha+bet : -8.9779

 Fermi energy:         3.1548104347

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9606      1.00000
      3      -8.6063      1.00000
      4      -6.7730      1.00000
      5      -4.3329      1.00000
      6      -1.5907      1.00000
      7       1.6273      1.00000
      8       4.6139     -0.00000
      9       5.4029     -0.00000
     10       7.9246     -0.00000
     11       7.9801     -0.00000
     12      11.8855      0.00000
     13      12.1817      0.00000
     14      16.0586      0.00000
     15      16.0627      0.00000
     16      16.0689      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1452     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1452     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1452     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4980      0.00000
     16      12.7588      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4981      0.00000
     16      12.7612      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4982      0.00000
     16      12.7812      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5905      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5912      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5936      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8141      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8139      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8139      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4011      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4006      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4006      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6233      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6226      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6238      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83735
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83735
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0332      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0386      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0364      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0333      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0339      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0368      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0469      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0463      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8276      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8332      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8265      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8550      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8490      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8612      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6661      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6661      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6661      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6783      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6790      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6791      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2290     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2293     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2293     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2293     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2383     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8699      1.00000
      2      -0.8676      1.00000
      3      -0.8395      1.00000
      4      -0.0048      1.00000
      5       0.0898      1.00000
      6       0.0928      1.00000
      7       1.1072      1.00000
      8       1.1101      1.00000
      9       1.8008      1.00000
     10       2.6683      1.00155
     11       4.0818     -0.00000
     12       4.0837     -0.00000
     13       5.9835     -0.00000
     14       5.9878     -0.00000
     15       6.0678     -0.00000
     16       8.0135     -0.00000
 Fermi energy:         3.1548104347

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9606      1.00000
      3      -8.6063      1.00000
      4      -6.7730      1.00000
      5      -4.3329      1.00000
      6      -1.5907      1.00000
      7       1.6273      1.00000
      8       4.6139     -0.00000
      9       5.4029     -0.00000
     10       7.9246     -0.00000
     11       7.9801     -0.00000
     12      11.8855      0.00000
     13      12.1817      0.00000
     14      16.0599      0.00000
     15      16.0627      0.00000
     16      16.0710      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1453     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1453     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6825      1.00000
      2      -9.7515      1.00000
      3      -8.3961      1.00000
      4      -6.5612      1.00000
      5      -4.1170      1.00000
      6      -1.3806      1.00000
      7       1.8407      1.00000
      8       4.7969     -0.00000
      9       5.5773     -0.00000
     10       8.0925     -0.00000
     11       8.1453     -0.00000
     12      12.0153      0.00000
     13      12.2768      0.00000
     14      13.1221      0.00000
     15      13.8772      0.00000
     16      14.3227      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4982      0.00000
     16      12.7692      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4980      0.00000
     16      12.7591      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1240      1.00000
      3      -7.7654      1.00000
      4      -5.9257      1.00000
      5      -3.4703      1.00000
      6      -0.7516      1.00000
      7       2.4667      1.00001
      8       5.3294     -0.00000
      9       6.0952     -0.00000
     10       8.4753     -0.00000
     11       8.6211      0.00000
     12       9.7279      0.00000
     13      10.2966      0.00000
     14      11.3898      0.00000
     15      12.4981      0.00000
     16      12.7623      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5907      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5930      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0771      1.00000
      3      -6.7130      1.00000
      4      -4.8666      1.00000
      5      -2.3986      1.00000
      6       0.2860      1.00000
      7       3.4229     -0.03365
      8       5.6439     -0.00000
      9       6.5347     -0.00000
     10       6.8884     -0.00000
     11       7.0420     -0.00000
     12       8.0771     -0.00000
     13       9.3950      0.00000
     14       9.5722      0.00000
     15       9.8000      0.00000
     16      11.5915      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8141      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8149      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6084      1.00000
      3      -5.2375      1.00000
      4      -3.3876      1.00000
      5      -0.9327      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5515     -0.00848
      9       4.8158     -0.00000
     10       5.1393     -0.00000
     11       6.5098     -0.00000
     12       7.6369     -0.00000
     13       8.2050     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8145      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4006      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4007      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7154      1.00000
      3      -3.3436      1.00000
      4      -1.5332      1.00000
      5      -0.6705      1.00000
      6       0.1421      1.00000
      7       1.1219      1.00000
      8       2.0281      1.00000
      9       3.6385     -0.00166
     10       3.7393     -0.00014
     11       5.9340     -0.00000
     12       6.7141     -0.00000
     13       8.2341     -0.00000
     14       9.1835      0.00000
     15       9.7440      0.00000
     16      10.4007      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3481      1.00000
      3      -2.4131      1.00000
      4      -2.4106      1.00000
      5      -1.2789      1.00000
      6      -0.8900      1.00000
      7       0.6262      1.00000
      8       1.3685      1.00000
      9       3.3860     -0.03466
     10       3.5279     -0.01200
     11       5.6721     -0.00000
     12       6.0175     -0.00000
     13       8.4137     -0.00000
     14       8.8640      0.00000
     15      10.2331      0.00000
     16      10.5329      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6231      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6222      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3332      1.00000
      3      -7.9757      1.00000
      4      -6.1376      1.00000
      5      -3.6857      1.00000
      6      -0.9610      1.00000
      7       2.2609      1.00000
      8       5.1564     -0.00000
      9       5.9240     -0.00000
     10       8.4174     -0.00000
     11       8.4540     -0.00000
     12      11.4254      0.00000
     13      11.4414      0.00000
     14      11.9018      0.00000
     15      12.0421      0.00000
     16      12.6434      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4314      1.00000
      2      -8.4961      1.00000
      3      -7.1342      1.00000
      4      -5.2902      1.00000
      5      -2.8260      1.00000
      6      -0.1260      1.00000
      7       3.0657      0.83734
      8       5.8106     -0.00000
      9       6.5926     -0.00000
     10       7.8556     -0.00000
     11       8.6124     -0.00000
     12       8.9977      0.00000
     13       9.4154      0.00000
     14       9.8492      0.00000
     15      10.1811      0.00000
     16      10.7405      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0333      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0333      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0333      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0793      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2384      1.00000
      3      -5.8702      1.00000
      4      -4.0203      1.00000
      5      -1.5513      1.00000
      6       1.0921      1.00000
      7       3.8128     -0.00002
      8       4.6892     -0.00000
      9       5.4298     -0.00000
     10       6.5193     -0.00000
     11       7.0746     -0.00000
     12       7.6886     -0.00000
     13       8.1708     -0.00000
     14       8.8947      0.00000
     15       9.6194      0.00000
     16      10.0340      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5575      1.00000
      3      -4.1838      1.00000
      4      -2.3409      1.00000
      5       0.0185      1.00000
      6       1.0011      1.00000
      7       1.9987      1.00000
      8       2.9926      0.99287
      9       3.5339     -0.01108
     10       5.1825     -0.00000
     11       5.9078     -0.00000
     12       7.3284     -0.00000
     13       7.9818     -0.00000
     14       8.6416      0.00000
     15       9.0964      0.00000
     16       9.1422      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4554      1.00000
      3      -2.1003      1.00000
      4      -1.8949      1.00000
      5      -1.0158      1.00000
      6      -0.3632      1.00000
      7       0.6489      1.00000
      8       2.2826      1.00000
      9       2.6599      1.00130
     10       4.7398     -0.00000
     11       4.8991     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0211     -0.00000
     15       8.8647      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0389      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0392      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4483      1.00000
      3      -6.0811      1.00000
      4      -4.2316      1.00000
      5      -1.7610      1.00000
      6       0.9002      1.00000
      7       3.9622     -0.00000
      8       6.0169     -0.00000
      9       6.4965     -0.00000
     10       7.2399     -0.00000
     11       7.3126     -0.00000
     12       7.5182     -0.00000
     13       7.5954     -0.00000
     14       8.3906     -0.00000
     15       8.7511      0.00000
     16      10.0398      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9788      1.00000
      3      -4.6054      1.00000
      4      -2.7559      1.00000
      5      -0.3126      1.00000
      6       2.1620      1.00000
      7       3.1343      0.58550
      8       4.1259     -0.00000
      9       5.0902     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4972     -0.00000
     13       7.0120     -0.00000
     14       7.7629     -0.00000
     15       8.4015     -0.00000
     16       8.7491      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8365      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8234      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8334      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8414      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8368      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0863      1.00000
      3      -2.7152      1.00000
      4      -0.9151      1.00000
      5      -0.0541      1.00000
      6       0.7441      1.00000
      7       1.7125      1.00000
      8       2.5998      1.00031
      9       4.0706     -0.00000
     10       4.2594     -0.00000
     11       4.8666     -0.00000
     12       5.7481     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5297     -0.00000
     16       8.8596      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6660      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6660      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7220      1.00000
      3      -1.7987      1.00000
      4      -1.7791      1.00000
      5      -0.6647      1.00000
      6      -0.2772      1.00000
      7       1.2266      1.00000
      8       1.9613      1.00000
      9       3.7801     -0.00005
     10       3.8990     -0.00000
     11       4.7245     -0.00000
     12       5.7709     -0.00000
     13       6.3916     -0.00000
     14       6.7592     -0.00000
     15       7.1355     -0.00000
     16       8.6660      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6785      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6783      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2972      1.00000
      3      -2.9233      1.00000
      4      -1.0981      1.00000
      5       1.1531      1.00000
      6       2.1003      1.00000
      7       2.2643      1.00000
      8       3.0045      0.97704
      9       3.4700     -0.02429
     10       4.2391     -0.00000
     11       4.4917     -0.00000
     12       4.8636     -0.00000
     13       6.1986     -0.00000
     14       6.8406     -0.00000
     15       7.2544     -0.00000
     16       8.6785      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2293     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2294     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2301     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1503      1.00000
      2      -2.2027      1.00000
      3      -0.8633      1.00000
      4      -0.6487      1.00000
      5       0.2071      1.00000
      6       0.8194      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5800      1.00018
     10       3.1788      0.40056
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0478     -0.00000
     14       6.1451     -0.00000
     15       6.3617     -0.00000
     16       8.2297     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8699      1.00000
      2      -0.8676      1.00000
      3      -0.8395      1.00000
      4      -0.0048      1.00000
      5       0.0898      1.00000
      6       0.0928      1.00000
      7       1.1072      1.00000
      8       1.1101      1.00000
      9       1.8008      1.00000
     10       2.6683      1.00155
     11       4.0818     -0.00000
     12       4.0837     -0.00000
     13       5.9835     -0.00000
     14       5.9878     -0.00000
     15       6.0678     -0.00000
     16       8.0138     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.942 -61.925   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.925  33.074  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.147   0.070   0.000   1.702   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6640: real time    426.7057
    FORNL :  cpu time      0.5007: real time      0.5067
    FORCOR:  cpu time      1.9535: real time      1.9654
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.983E-06 -.221E-05 0.182E+03   0.398E-13 0.267E-13 -.181E+03   -.102E-05 0.207E-05 -.107E+01
   0.837E-06 0.143E-05 0.922E+02   0.269E-14 0.417E-15 -.922E+02   -.960E-06 -.126E-05 -.716E-01
   0.164E-05 -.227E-05 -.137E+00   -.145E-12 -.817E-13 0.132E+00   -.194E-05 0.220E-05 0.448E-02
   0.617E-06 0.167E-05 -.924E+02   0.134E-12 0.848E-13 0.923E+02   -.557E-06 -.152E-05 0.828E-01
   0.723E-06 0.287E-05 -.181E+03   -.411E-13 -.271E-13 0.180E+03   -.591E-06 -.289E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.454E-05 0.128E-05 0.158E-01   -.971E-14 0.313E-14 -.284E-13   -.506E-05 -.141E-05 -.407E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.027564
      0.00000      0.00000      2.36810         0.000000      0.000000      0.004374
      1.42873      0.82488      4.68305        -0.000001     -0.000000      0.004835
      2.85746      1.64976      6.99992        -0.000000      0.000000      0.008222
      0.00000      0.00000      9.37567         0.000000      0.000000      0.010133
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000     -0.027441


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90434128 eV

  energy  without entropy=      -13.89780176  energy(sigma->0) =      -13.90216144
 
 d Force = 0.1711735E-04[ 0.140E-04, 0.202E-04]  d Energy = 0.1271580E-04 0.440E-05
 d Force = 0.1945750E+00[ 0.195E+00, 0.195E+00]  d Ewald  = 0.1945750E+00-0.274E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9553: real time      1.9672


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.103E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.3889
 eigenvalue spectrum of G is  0.7129  2.0649


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0769
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9520: real time      1.9646
    EDDIAG:  cpu time    585.1854: real time    590.1528
    CHARGE:  cpu time      0.2656: real time      0.2677
 writing wavefunctions
     LOOP+:  cpu time   2793.7126: real time   2817.0797


--------------------------------------- Iteration     43(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7286
    SETDIJ:  cpu time      1.2308: real time      1.2363
    TRIAL :  cpu time    586.5112: real time    591.5575
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2665: real time      0.2691
    --------------------------------------------
      LOOP:  cpu time    588.7450: real time    593.8062

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1039426E-04  (-0.3970243E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009733 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.77287073
  -Hartree energ DENC   =      -699.84075238
  -exchange      EXHF   =        33.25293962
  -V(xc)+E(xc)   XCENC  =       -83.55316317
  PAW double counting   =    100978.88244338  -100877.92319111
  entropy T*S    EENTRO =        -0.00651868
  eigenvalues    EBANDS =       -35.07032738
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432514 eV

  energy without entropy =      -13.89780646  energy(sigma->0) =      -13.90215225
  exchange ACFDT corr.  =        -0.00584392  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     43(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2305: real time      1.2363
    TRIAL :  cpu time    587.7491: real time    592.7893
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2671: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time    589.9732: real time    595.0277

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1745071E-04  (-0.1997061E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009742 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.77287073
  -Hartree energ DENC   =      -699.70948708
  -exchange      EXHF   =        33.25245022
  -V(xc)+E(xc)   XCENC  =       -83.55334062
  PAW double counting   =    100977.05205263  -100876.09281469
  entropy T*S    EENTRO =        -0.00651535
  eigenvalues    EBANDS =       -35.20093934
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434259 eV

  energy without entropy =      -13.89782724  energy(sigma->0) =      -13.90217081
  exchange ACFDT corr.  =        -0.00583496  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     43(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7290
    SETDIJ:  cpu time      1.2298: real time      1.2356
    TRIAL :  cpu time    586.8255: real time    591.8756
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2660: real time      0.2681
    --------------------------------------------
      LOOP:  cpu time    589.0488: real time    594.1128

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1217637E-04  (-0.1351864E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009752 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.77287073
  -Hartree energ DENC   =      -699.66658047
  -exchange      EXHF   =        33.25217356
  -V(xc)+E(xc)   XCENC  =       -83.55344053
  PAW double counting   =    100976.36433828  -100875.40511216
  entropy T*S    EENTRO =        -0.00651872
  eigenvalues    EBANDS =       -35.24347306
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435477 eV

  energy without entropy =      -13.89783605  energy(sigma->0) =      -13.90218186
  exchange ACFDT corr.  =        -0.00583122  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     43(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7293
    SETDIJ:  cpu time      1.2283: real time      1.2337
    TRIAL :  cpu time    588.9016: real time    593.9206
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.0185: real time    594.0101
    CHARGE:  cpu time      0.2649: real time      0.2670
    --------------------------------------------
      LOOP:  cpu time   1180.1411: real time   1190.1658

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9207331E-05  (-0.6269502E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009761 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.77287073
  -Hartree energ DENC   =      -699.71417504
  -exchange      EXHF   =        33.25225741
  -V(xc)+E(xc)   XCENC  =       -83.55343161
  PAW double counting   =    100977.16933148  -100876.21009865
  entropy T*S    EENTRO =        -0.00651953
  eigenvalues    EBANDS =       -35.19592322
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436398 eV

  energy without entropy =      -13.89784444  energy(sigma->0) =      -13.90219080
  exchange ACFDT corr.  =        -0.00583294  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0800


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9016       2 -69.7776       3 -69.7697       4 -69.7762       5 -69.8953
 
 
 
 E-fermi :   3.1546     XC(G=0):  -5.1224     alpha+bet : -8.9779

 Fermi energy:         3.1546394004

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9616      1.00000
      3      -8.6071      1.00000
      4      -6.7741      1.00000
      5      -4.3343      1.00000
      6      -1.5916      1.00000
      7       1.6256      1.00000
      8       4.6130     -0.00000
      9       5.4039     -0.00000
     10       7.9250     -0.00000
     11       7.9799     -0.00000
     12      11.8857      0.00000
     13      12.1813      0.00000
     14      16.0585      0.00000
     15      16.0625      0.00000
     16      16.0687      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4979      0.00000
     16      12.7583      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4979      0.00000
     16      12.7606      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4981      0.00000
     16      12.7803      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5894      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5901      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5924      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5108      0.00000
     16      10.8139      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5108      0.00000
     16      10.8137      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5108      0.00000
     16      10.8137      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4009      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4004      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4005      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6225      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6217      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6230      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0328      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0325      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0375      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0355      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0326      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0331      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0364      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0468      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0463      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8266      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8321      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8255      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8539      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8477      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8600      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6772      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6778      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6780      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2283     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2288     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2286     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2285     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2285     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2367     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8700      1.00000
      2      -0.8676      1.00000
      3      -0.8397      1.00000
      4      -0.0055      1.00000
      5       0.0884      1.00000
      6       0.0924      1.00000
      7       1.1057      1.00000
      8       1.1103      1.00000
      9       1.8000      1.00000
     10       2.6673      1.00155
     11       4.0813     -0.00000
     12       4.0823     -0.00000
     13       5.9821     -0.00000
     14       5.9870     -0.00000
     15       6.0665     -0.00000
     16       8.0126     -0.00000
 Fermi energy:         3.1546394004

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9616      1.00000
      3      -8.6071      1.00000
      4      -6.7741      1.00000
      5      -4.3343      1.00000
      6      -1.5916      1.00000
      7       1.6256      1.00000
      8       4.6130     -0.00000
      9       5.4039     -0.00000
     10       7.9250     -0.00000
     11       7.9799     -0.00000
     12      11.8857      0.00000
     13      12.1813      0.00000
     14      16.0597      0.00000
     15      16.0625      0.00000
     16      16.0705      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7525      1.00000
      3      -8.3969      1.00000
      4      -6.5622      1.00000
      5      -4.1183      1.00000
      6      -1.3816      1.00000
      7       1.8391      1.00000
      8       4.7961     -0.00000
      9       5.5783     -0.00000
     10       8.0930     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2765      0.00000
     14      13.1218      0.00000
     15      13.8762      0.00000
     16      14.3225      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4981      0.00000
     16      12.7684      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4979      0.00000
     16      12.7586      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1250      1.00000
      3      -7.7662      1.00000
      4      -5.9268      1.00000
      5      -3.4716      1.00000
      6      -0.7525      1.00000
      7       2.4651      1.00001
      8       5.3285     -0.00000
      9       6.0962     -0.00000
     10       8.4755     -0.00000
     11       8.6213      0.00000
     12       9.7277      0.00000
     13      10.2958      0.00000
     14      11.3889      0.00000
     15      12.4980      0.00000
     16      12.7617      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5897      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5919      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0780      1.00000
      3      -6.7138      1.00000
      4      -4.8677      1.00000
      5      -2.3999      1.00000
      6       0.2851      1.00000
      7       3.4215     -0.03378
      8       5.6435     -0.00000
      9       6.5344     -0.00000
     10       6.8875     -0.00000
     11       7.0429     -0.00000
     12       8.0763     -0.00000
     13       9.3950      0.00000
     14       9.5719      0.00000
     15       9.7994      0.00000
     16      11.5905      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5107      0.00000
     16      10.8139      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5108      0.00000
     16      10.8147      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6093      1.00000
      3      -5.2382      1.00000
      4      -3.3886      1.00000
      5      -0.9339      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5506     -0.00838
      9       4.8150     -0.00000
     10       5.1380     -0.00000
     11       6.5089     -0.00000
     12       7.6362     -0.00000
     13       8.2060     -0.00000
     14       8.7118      0.00000
     15      10.5108      0.00000
     16      10.8143      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4006      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7163      1.00000
      3      -3.3443      1.00000
      4      -1.5341      1.00000
      5      -0.6706      1.00000
      6       0.1412      1.00000
      7       1.1208      1.00000
      8       2.0272      1.00000
      9       3.6375     -0.00166
     10       3.7384     -0.00014
     11       5.9328     -0.00000
     12       6.7128     -0.00000
     13       8.2332     -0.00000
     14       9.1828      0.00000
     15       9.7450      0.00000
     16      10.4006      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3482      1.00000
      3      -2.4141      1.00000
      4      -2.4114      1.00000
      5      -1.2796      1.00000
      6      -0.8908      1.00000
      7       0.6252      1.00000
      8       1.3675      1.00000
      9       3.3849     -0.03461
     10       3.5266     -0.01211
     11       5.6714     -0.00000
     12       6.0165     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2329      0.00000
     16      10.5323      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6223      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6214      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3342      1.00000
      3      -7.9765      1.00000
      4      -6.1386      1.00000
      5      -3.6870      1.00000
      6      -0.9619      1.00000
      7       2.2593      1.00000
      8       5.1555     -0.00000
      9       5.9250     -0.00000
     10       8.4179     -0.00000
     11       8.4538     -0.00000
     12      11.4253      0.00000
     13      11.4413      0.00000
     14      11.9010      0.00000
     15      12.0416      0.00000
     16      12.6420      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4970      1.00000
      3      -7.1350      1.00000
      4      -5.2913      1.00000
      5      -2.8274      1.00000
      6      -0.1269      1.00000
      7       3.0642      0.84047
      8       5.8098     -0.00000
      9       6.5936     -0.00000
     10       7.8556     -0.00000
     11       8.6115     -0.00000
     12       8.9979      0.00000
     13       9.4155      0.00000
     14       9.8483      0.00000
     15      10.1808      0.00000
     16      10.7397      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0326      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0330      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0326      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0326      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0753      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2394      1.00000
      3      -5.8710      1.00000
      4      -4.0213      1.00000
      5      -1.5526      1.00000
      6       1.0912      1.00000
      7       3.8120     -0.00002
      8       4.6886     -0.00000
      9       5.4287     -0.00000
     10       6.5186     -0.00000
     11       7.0738     -0.00000
     12       7.6895     -0.00000
     13       8.1698     -0.00000
     14       8.8946      0.00000
     15       9.6185      0.00000
     16      10.0332      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5585      1.00000
      3      -4.1846      1.00000
      4      -2.3419      1.00000
      5       0.0173      1.00000
      6       1.0009      1.00000
      7       1.9978      1.00000
      8       2.9918      0.99277
      9       3.5331     -0.01102
     10       5.1816     -0.00000
     11       5.9066     -0.00000
     12       7.3273     -0.00000
     13       7.9813     -0.00000
     14       8.6410      0.00000
     15       9.0973      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4563      1.00000
      3      -2.1010      1.00000
      4      -1.8950      1.00000
      5      -1.0167      1.00000
      6      -0.3641      1.00000
      7       0.6481      1.00000
      8       2.2816      1.00000
      9       2.6588      1.00129
     10       4.7389     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4909     -0.00000
     14       8.0204     -0.00000
     15       8.8637      0.00000
     16       9.6988      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0384      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0390      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4493      1.00000
      3      -6.0819      1.00000
      4      -4.2327      1.00000
      5      -1.7623      1.00000
      6       0.8994      1.00000
      7       3.9609     -0.00000
      8       6.0166     -0.00000
      9       6.4963     -0.00000
     10       7.2394     -0.00000
     11       7.3119     -0.00000
     12       7.5173     -0.00000
     13       7.5962     -0.00000
     14       8.3897     -0.00000
     15       8.7503      0.00000
     16      10.0395      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9797      1.00000
      3      -4.6062      1.00000
      4      -2.7569      1.00000
      5      -0.3138      1.00000
      6       2.1613      1.00000
      7       3.1341      0.58379
      8       4.1250     -0.00000
      9       5.0896     -0.00000
     10       5.3691     -0.00000
     11       5.9174     -0.00000
     12       6.4961     -0.00000
     13       7.0111     -0.00000
     14       7.7623     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8355      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8224      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8324      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8403      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8357      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0872      1.00000
      3      -2.7159      1.00000
      4      -0.9161      1.00000
      5      -0.0542      1.00000
      6       0.7432      1.00000
      7       1.7114      1.00000
      8       2.5990      1.00031
      9       4.0698     -0.00000
     10       4.2585     -0.00000
     11       4.8664     -0.00000
     12       5.7472     -0.00000
     13       6.6311     -0.00000
     14       7.4056     -0.00000
     15       7.5283     -0.00000
     16       8.8584      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7222      1.00000
      3      -1.7995      1.00000
      4      -1.7800      1.00000
      5      -0.6653      1.00000
      6      -0.2779      1.00000
      7       1.2256      1.00000
      8       1.9604      1.00000
      9       3.7790     -0.00005
     10       3.8981     -0.00000
     11       4.7240     -0.00000
     12       5.7699     -0.00000
     13       6.3909     -0.00000
     14       6.7583     -0.00000
     15       7.1347     -0.00000
     16       8.6652      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6774      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6772      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2981      1.00000
      3      -2.9240      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0038      0.97599
      9       3.4691     -0.02410
     10       4.2384     -0.00000
     11       4.4909     -0.00000
     12       4.8628     -0.00000
     13       6.1977     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6773      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2285     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39967
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2286     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2286     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2293     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39967
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2287     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1505      1.00000
      2      -2.2036      1.00000
      3      -0.8640      1.00000
      4      -0.6489      1.00000
      5       0.2062      1.00000
      6       0.8185      1.00000
      7       1.7561      1.00000
      8       1.8348      1.00000
      9       2.5791      1.00019
     10       3.1779      0.39966
     11       4.1310     -0.00000
     12       4.6635     -0.00000
     13       6.0471     -0.00000
     14       6.1442     -0.00000
     15       6.3605     -0.00000
     16       8.2288     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8700      1.00000
      2      -0.8676      1.00000
      3      -0.8397      1.00000
      4      -0.0055      1.00000
      5       0.0884      1.00000
      6       0.0924      1.00000
      7       1.1057      1.00000
      8       1.1103      1.00000
      9       1.8000      1.00000
     10       2.6673      1.00155
     11       4.0813     -0.00000
     12       4.0823     -0.00000
     13       5.9821     -0.00000
     14       5.9870     -0.00000
     15       6.0665     -0.00000
     16       8.0129     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.937 -61.922   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.922  33.073  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.147   0.070   0.000   1.701  -0.000  -0.000  -0.261   0.000
  0.000  -0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.2384: real time    426.3089
    FORNL :  cpu time      0.4987: real time      0.5051
    FORCOR:  cpu time      1.9541: real time      1.9660
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.131E-05 0.186E-06 0.182E+03   0.393E-13 0.280E-13 -.181E+03   -.145E-05 -.475E-06 -.107E+01
   -.183E-06 -.739E-06 0.922E+02   0.374E-14 0.811E-14 -.922E+02   0.283E-06 0.103E-05 -.763E-01
   0.152E-05 -.113E-05 -.152E+00   -.144E-12 -.880E-13 0.140E+00   -.138E-05 0.970E-06 0.925E-02
   0.541E-06 0.626E-06 -.924E+02   0.129E-12 0.797E-13 0.923E+02   -.493E-06 -.122E-05 0.903E-01
   -.226E-05 0.277E-06 -.181E+03   -.373E-13 -.247E-13 0.180E+03   0.201E-05 0.391E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.124E-05 -.666E-06 0.187E-02   -.971E-14 0.313E-14 0.000E+00   -.103E-05 0.704E-06 -.237E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.022470
      0.00000      0.00000      2.36838         0.000001      0.000001      0.006082
      1.42873      0.82488      4.68327        -0.000001     -0.000001      0.001490
      2.85746      1.64976      7.00046         0.000000     -0.000000      0.001221
      0.00000      0.00000      9.37646        -0.000001      0.000001      0.013677
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.023623


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90436398 eV

  energy  without entropy=      -13.89784444  energy(sigma->0) =      -13.90219080
 
 d Force = 0.1420987E-04[ 0.136E-04, 0.148E-04]  d Energy = 0.2270071E-04-0.849E-05
 d Force = 0.1669538E+00[ 0.167E+00, 0.167E+00]  d Ewald  = 0.1669538E+00-0.370E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9531: real time      1.9648


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.110E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.2347
 eigenvalue spectrum of G is  1.4461  1.0232


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0756
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9544: real time      1.9667
    EDDIAG:  cpu time    587.7630: real time    592.7336
    CHARGE:  cpu time      0.2667: real time      0.2689
 writing wavefunctions
     LOOP+:  cpu time   3966.5753: real time   4000.1176


--------------------------------------- Iteration     44(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7295
    SETDIJ:  cpu time      1.2292: real time      1.2349
    TRIAL :  cpu time    588.7432: real time    593.8010
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2666: real time      0.2687
    --------------------------------------------
      LOOP:  cpu time    590.9765: real time    596.0492

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3300030E-03  (-0.1310785E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009775 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.26428247
  -exchange      EXHF   =        33.25071064
  -V(xc)+E(xc)   XCENC  =       -83.55397600
  PAW double counting   =    100971.12081229  -100870.16149308
  entropy T*S    EENTRO =        -0.00651429
  eigenvalues    EBANDS =       -35.54120879
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90402477 eV

  energy without entropy =      -13.89751048  energy(sigma->0) =      -13.90185334
  exchange ACFDT corr.  =        -0.00579586  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7296
    SETDIJ:  cpu time      1.2292: real time      1.2350
    TRIAL :  cpu time    588.1301: real time    593.1710
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2670: real time      0.2695
    --------------------------------------------
      LOOP:  cpu time    590.3544: real time    595.4099

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6699047E-05  (-0.8473786E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009783 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.72520742
  -exchange      EXHF   =        33.25189988
  -V(xc)+E(xc)   XCENC  =       -83.55353531
  PAW double counting   =    100977.84610483  -100876.88684414
  entropy T*S    EENTRO =        -0.00652576
  eigenvalues    EBANDS =       -35.08180581
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90401807 eV

  energy without entropy =      -13.89749230  energy(sigma->0) =      -13.90184281
  exchange ACFDT corr.  =        -0.00582591  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2299: real time      1.2357
    TRIAL :  cpu time    586.2404: real time    591.2638
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2672: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time    588.4644: real time    593.5019

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3010912E-03  (-0.5641368E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009790 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.83103555
  -exchange      EXHF   =        33.25217116
  -V(xc)+E(xc)   XCENC  =       -83.55342891
  PAW double counting   =    100979.77814051  -100878.81888856
  entropy T*S    EENTRO =        -0.00650834
  eigenvalues    EBANDS =       -34.97663623
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90431916 eV

  energy without entropy =      -13.89781082  energy(sigma->0) =      -13.90214971
  exchange ACFDT corr.  =        -0.00583339  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7291
    SETDIJ:  cpu time      1.2301: real time      1.2355
    TRIAL :  cpu time    586.6999: real time    591.7041
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2663: real time      0.2684
    --------------------------------------------
      LOOP:  cpu time    588.9237: real time    593.9420

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1760057E-04  (-0.1764494E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009795 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.61919551
  -exchange      EXHF   =        33.25160796
  -V(xc)+E(xc)   XCENC  =       -83.55363236
  PAW double counting   =    100977.79668527  -100876.83741901
  entropy T*S    EENTRO =        -0.00649864
  eigenvalues    EBANDS =       -35.18775896
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433676 eV

  energy without entropy =      -13.89783811  energy(sigma->0) =      -13.90217054
  exchange ACFDT corr.  =        -0.00581963  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7280
    SETDIJ:  cpu time      1.2298: real time      1.2352
    TRIAL :  cpu time    587.7274: real time    592.7560
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2673: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time    589.9516: real time    594.9938

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1030529E-04  (-0.1239706E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009795 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.51145194
  -exchange      EXHF   =        33.25133094
  -V(xc)+E(xc)   XCENC  =       -83.55373046
  PAW double counting   =    100977.36311217  -100876.40385094
  entropy T*S    EENTRO =        -0.00650501
  eigenvalues    EBANDS =       -35.29512178
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432645 eV

  energy without entropy =      -13.89782144  energy(sigma->0) =      -13.90215812
  exchange ACFDT corr.  =        -0.00581198  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7295
    SETDIJ:  cpu time      1.2296: real time      1.2350
    TRIAL :  cpu time    586.9535: real time    591.9614
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2675: real time      0.2698
    --------------------------------------------
      LOOP:  cpu time    589.1783: real time    594.2001

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5483293E-04  (-0.1046441E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009792 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.59366286
  -exchange      EXHF   =        33.25155495
  -V(xc)+E(xc)   XCENC  =       -83.55364525
  PAW double counting   =    100979.63228917  -100878.67303242
  entropy T*S    EENTRO =        -0.00651081
  eigenvalues    EBANDS =       -35.21326405
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438129 eV

  energy without entropy =      -13.89787048  energy(sigma->0) =      -13.90221102
  exchange ACFDT corr.  =        -0.00581630  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2302: real time      1.2360
    TRIAL :  cpu time    587.4266: real time    592.4670
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2670: real time      0.2692
    --------------------------------------------
      LOOP:  cpu time    589.6512: real time    594.7056

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6160553E-05  (-0.3037544E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009787 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.67301737
  -exchange      EXHF   =        33.25176057
  -V(xc)+E(xc)   XCENC  =       -83.55356717
  PAW double counting   =    100982.06276599  -100881.10350103
  entropy T*S    EENTRO =        -0.00650789
  eigenvalues    EBANDS =       -35.13418951
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437513 eV

  energy without entropy =      -13.89786724  energy(sigma->0) =      -13.90220583
  exchange ACFDT corr.  =        -0.00582026  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2287: real time      1.2342
    TRIAL :  cpu time    584.7699: real time    589.7380
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    586.9921: real time    591.9739

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3252746E-05  (-0.1568212E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009782 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.65119921
  -exchange      EXHF   =        33.25168875
  -V(xc)+E(xc)   XCENC  =       -83.55359296
  PAW double counting   =    100983.23953437  -100882.28027973
  entropy T*S    EENTRO =        -0.00650284
  eigenvalues    EBANDS =       -35.15590590
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437838 eV

  energy without entropy =      -13.89787554  energy(sigma->0) =      -13.90221076
  exchange ACFDT corr.  =        -0.00581778  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     44(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7289
    SETDIJ:  cpu time      1.2290: real time      1.2345
    TRIAL :  cpu time    586.4082: real time    591.4290
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    587.5933: real time    592.5673
    CHARGE:  cpu time      0.2678: real time      0.2700
    --------------------------------------------
      LOOP:  cpu time   1176.2257: real time   1186.2344

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6647228E-05  ( 0.1745831E-06)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009777 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67049994
  -Hartree energ DENC   =      -699.60346579
  -exchange      EXHF   =        33.25152430
  -V(xc)+E(xc)   XCENC  =       -83.55364679
  PAW double counting   =    100983.91447684  -100882.95523057
  entropy T*S    EENTRO =        -0.00650194
  eigenvalues    EBANDS =       -35.20344222
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438503 eV

  energy without entropy =      -13.89788308  energy(sigma->0) =      -13.90221771
  exchange ACFDT corr.  =        -0.00581375  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9710


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8969       2 -69.7781       3 -69.7739       4 -69.7781       5 -69.8967
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1224     alpha+bet : -8.9779

 Fermi energy:         3.1544570957

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8928      1.00000
      2      -9.9612      1.00000
      3      -8.6071      1.00000
      4      -6.7747      1.00000
      5      -4.3350      1.00000
      6      -1.5922      1.00000
      7       1.6246      1.00000
      8       4.6125     -0.00000
      9       5.4047     -0.00000
     10       7.9254     -0.00000
     11       7.9798     -0.00000
     12      11.8857      0.00000
     13      12.1814      0.00000
     14      16.0565      0.00000
     15      16.0608      0.00000
     16      16.0672      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4978      0.00000
     16      12.7578      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4978      0.00000
     16      12.7599      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4979      0.00000
     16      12.7783      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5887      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5893      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5915      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8137      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8136      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8136      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7458      0.00000
     16      10.3991      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7458      0.00000
     16      10.3988      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7458      0.00000
     16      10.3988      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6223      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6217      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6227      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0321      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0320      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0361      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0344      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0320      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0324      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0362      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0467      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0466      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8255      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8309      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8244      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8527      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8465      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8590      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6768      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6774      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6775      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2277     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2282     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2280     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2280     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2280     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2349     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8715      1.00000
      2      -0.8695      1.00000
      3      -0.8412      1.00000
      4      -0.0056      1.00000
      5       0.0896      1.00000
      6       0.0927      1.00000
      7       1.1062      1.00000
      8       1.1096      1.00000
      9       1.8004      1.00000
     10       2.6673      1.00155
     11       4.0806     -0.00000
     12       4.0818     -0.00000
     13       5.9817     -0.00000
     14       5.9865     -0.00000
     15       6.0653     -0.00000
     16       8.0123     -0.00000
 Fermi energy:         3.1544570957

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8928      1.00000
      2      -9.9612      1.00000
      3      -8.6071      1.00000
      4      -6.7747      1.00000
      5      -4.3350      1.00000
      6      -1.5922      1.00000
      7       1.6246      1.00000
      8       4.6125     -0.00000
      9       5.4047     -0.00000
     10       7.9254     -0.00000
     11       7.9798     -0.00000
     12      11.8857      0.00000
     13      12.1814      0.00000
     14      16.0576      0.00000
     15      16.0603      0.00000
     16      16.0685      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6844      1.00000
      2      -9.7521      1.00000
      3      -8.3969      1.00000
      4      -6.5629      1.00000
      5      -4.1191      1.00000
      6      -1.3821      1.00000
      7       1.8381      1.00000
      8       4.7956     -0.00000
      9       5.5791     -0.00000
     10       8.0934     -0.00000
     11       8.1450     -0.00000
     12      12.0155      0.00000
     13      12.2766      0.00000
     14      13.1201      0.00000
     15      13.8765      0.00000
     16      14.3208      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4979      0.00000
     16      12.7671      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4978      0.00000
     16      12.7581      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0590      1.00000
      2      -9.1245      1.00000
      3      -7.7662      1.00000
      4      -5.9274      1.00000
      5      -3.4724      1.00000
      6      -0.7531      1.00000
      7       2.4641      1.00001
      8       5.3281     -0.00000
      9       6.0970     -0.00000
     10       8.4755     -0.00000
     11       8.6214      0.00000
     12       9.7261      0.00000
     13      10.2962      0.00000
     14      11.3891      0.00000
     15      12.4978      0.00000
     16      12.7609      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5889      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5910      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0159      1.00000
      2      -8.0776      1.00000
      3      -6.7138      1.00000
      4      -4.8683      1.00000
      5      -2.4007      1.00000
      6       0.2845      1.00000
      7       3.4205     -0.03387
      8       5.6426     -0.00000
      9       6.5339     -0.00000
     10       6.8876     -0.00000
     11       7.0433     -0.00000
     12       8.0764     -0.00000
     13       9.3951      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5896      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8138      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8145      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5533      1.00000
      2      -6.6089      1.00000
      3      -5.2382      1.00000
      4      -3.3892      1.00000
      5      -0.9347      1.00000
      6       1.5755      1.00000
      7       2.5439      1.00007
      8       3.5511     -0.00833
      9       4.8152     -0.00000
     10       5.1369     -0.00000
     11       6.5083     -0.00000
     12       7.6358     -0.00000
     13       8.2067     -0.00000
     14       8.7112      0.00000
     15      10.5109      0.00000
     16      10.8141      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7457      0.00000
     16      10.3988      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7457      0.00000
     16      10.3989      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7159      1.00000
      3      -3.3443      1.00000
      4      -1.5347      1.00000
      5      -0.6723      1.00000
      6       0.1414      1.00000
      7       1.1207      1.00000
      8       2.0272      1.00000
      9       3.6372     -0.00167
     10       3.7376     -0.00014
     11       5.9321     -0.00000
     12       6.7120     -0.00000
     13       8.2327     -0.00000
     14       9.1825      0.00000
     15       9.7457      0.00000
     16      10.3989      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3671      1.00000
      2      -3.3498      1.00000
      3      -2.4134      1.00000
      4      -2.4112      1.00000
      5      -1.2797      1.00000
      6      -0.8906      1.00000
      7       0.6249      1.00000
      8       1.3669      1.00000
      9       3.3845     -0.03457
     10       3.5255     -0.01217
     11       5.6710     -0.00000
     12       6.0160     -0.00000
     13       8.4117     -0.00000
     14       8.8623      0.00000
     15      10.2313      0.00000
     16      10.5318      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6221      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2675      1.00000
      2      -9.3338      1.00000
      3      -7.9765      1.00000
      4      -6.1392      1.00000
      5      -3.6878      1.00000
      6      -0.9625      1.00000
      7       2.2583      1.00000
      8       5.1551     -0.00000
      9       5.9258     -0.00000
     10       8.4182     -0.00000
     11       8.4537     -0.00000
     12      11.4235      0.00000
     13      11.4399      0.00000
     14      11.9013      0.00000
     15      12.0420      0.00000
     16      12.6406      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84292
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84292
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84292
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84292
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84292
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4333      1.00000
      2      -8.4966      1.00000
      3      -7.1350      1.00000
      4      -5.2919      1.00000
      5      -2.8281      1.00000
      6      -0.1275      1.00000
      7       3.0632      0.84291
      8       5.8094     -0.00000
      9       6.5943     -0.00000
     10       7.8544     -0.00000
     11       8.6116     -0.00000
     12       8.9979      0.00000
     13       9.4153      0.00000
     14       9.8484      0.00000
     15      10.1794      0.00000
     16      10.7400      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0320      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0323      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0320      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0320      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0642      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1807      1.00000
      2      -7.2389      1.00000
      3      -5.8710      1.00000
      4      -4.0219      1.00000
      5      -1.5533      1.00000
      6       1.0907      1.00000
      7       3.8109     -0.00002
      8       4.6879     -0.00000
      9       5.4289     -0.00000
     10       6.5183     -0.00000
     11       7.0735     -0.00000
     12       7.6902     -0.00000
     13       8.1694     -0.00000
     14       8.8934      0.00000
     15       9.6186      0.00000
     16      10.0325      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0978      0.00000
     16       9.1412      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5067      1.00000
      2      -5.5580      1.00000
      3      -4.1845      1.00000
      4      -2.3425      1.00000
      5       0.0165      1.00000
      6       0.9995      1.00000
      7       1.9982      1.00000
      8       2.9917      0.99276
      9       3.5329     -0.01098
     10       5.1810     -0.00000
     11       5.9058     -0.00000
     12       7.3265     -0.00000
     13       7.9806     -0.00000
     14       8.6404      0.00000
     15       9.0979      0.00000
     16       9.1412      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4558      1.00000
      3      -2.1010      1.00000
      4      -1.8965      1.00000
      5      -1.0164      1.00000
      6      -0.3643      1.00000
      7       0.6481      1.00000
      8       2.2813      1.00000
      9       2.6578      1.00128
     10       4.7382     -0.00000
     11       4.8975     -0.00000
     12       7.0240     -0.00000
     13       7.4902     -0.00000
     14       8.0198     -0.00000
     15       8.8637      0.00000
     16       9.6985      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0381      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0389      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3898      1.00000
      2      -7.4489      1.00000
      3      -6.0819      1.00000
      4      -4.2333      1.00000
      5      -1.7630      1.00000
      6       0.8988      1.00000
      7       3.9600     -0.00000
      8       6.0156     -0.00000
      9       6.4954     -0.00000
     10       7.2393     -0.00000
     11       7.3110     -0.00000
     12       7.5180     -0.00000
     13       7.5966     -0.00000
     14       8.3900     -0.00000
     15       8.7501      0.00000
     16      10.0392      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9263      1.00000
      2      -5.9792      1.00000
      3      -4.6062      1.00000
      4      -2.7575      1.00000
      5      -0.3145      1.00000
      6       2.1606      1.00000
      7       3.1329      0.58175
      8       4.1255     -0.00000
      9       5.0885     -0.00000
     10       5.3690     -0.00000
     11       5.9169     -0.00000
     12       6.4961     -0.00000
     13       7.0107     -0.00000
     14       7.7619     -0.00000
     15       8.4003     -0.00000
     16       8.7507      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8343      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8215      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8312      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8390      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8344      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0868      1.00000
      3      -2.7159      1.00000
      4      -0.9166      1.00000
      5      -0.0559      1.00000
      6       0.7434      1.00000
      7       1.7113      1.00000
      8       2.5989      1.00031
      9       4.0696     -0.00000
     10       4.2574     -0.00000
     11       4.8651     -0.00000
     12       5.7474     -0.00000
     13       6.6312     -0.00000
     14       7.4055     -0.00000
     15       7.5273     -0.00000
     16       8.8573      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7238      1.00000
      3      -1.7993      1.00000
      4      -1.7793      1.00000
      5      -0.6654      1.00000
      6      -0.2778      1.00000
      7       1.2253      1.00000
      8       1.9598      1.00000
      9       3.7788     -0.00005
     10       3.8966     -0.00000
     11       4.7230     -0.00000
     12       5.7703     -0.00000
     13       6.3909     -0.00000
     14       6.7578     -0.00000
     15       7.1345     -0.00000
     16       8.6645      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6770      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6768      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2976      1.00000
      3      -2.9240      1.00000
      4      -1.0996      1.00000
      5       1.1512      1.00000
      6       2.0986      1.00000
      7       2.2629      1.00000
      8       3.0039      0.97527
      9       3.4699     -0.02401
     10       4.2385     -0.00000
     11       4.4903     -0.00000
     12       4.8628     -0.00000
     13       6.1973     -0.00000
     14       6.8390     -0.00000
     15       7.2522     -0.00000
     16       8.6770      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2279     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2281     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39957
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2281     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39957
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2287     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2281     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2031      1.00000
      3      -0.8640      1.00000
      4      -0.6504      1.00000
      5       0.2065      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8344      1.00000
      9       2.5796      1.00019
     10       3.1778      0.39958
     11       4.1303     -0.00000
     12       4.6635     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3596     -0.00000
     16       8.2283     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8715      1.00000
      2      -0.8695      1.00000
      3      -0.8412      1.00000
      4      -0.0056      1.00000
      5       0.0896      1.00000
      6       0.0927      1.00000
      7       1.1062      1.00000
      8       1.1096      1.00000
      9       1.8004      1.00000
     10       2.6673      1.00155
     11       4.0806     -0.00000
     12       4.0818     -0.00000
     13       5.9817     -0.00000
     14       5.9865     -0.00000
     15       6.0653     -0.00000
     16       8.0126     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.940 -61.923   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.923  33.073  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.147   0.070   0.000   1.701   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7929: real time    427.8475
    FORNL :  cpu time      0.4981: real time      0.5040
    FORCOR:  cpu time      1.9525: real time      1.9645
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.233E-05 0.160E-05 0.182E+03   0.381E-13 0.232E-13 -.181E+03   -.251E-05 -.187E-05 -.107E+01
   0.161E-05 0.676E-06 0.922E+02   0.445E-14 0.517E-14 -.922E+02   -.147E-05 -.315E-06 -.760E-01
   0.117E-05 0.128E-06 -.139E+00   -.146E-12 -.864E-13 0.140E+00   -.136E-05 0.112E-07 0.122E-01
   0.560E-06 0.217E-05 -.924E+02   0.139E-12 0.857E-13 0.923E+02   0.580E-07 -.277E-05 0.983E-01
   -.851E-06 -.116E-05 -.181E+03   -.452E-13 -.245E-13 0.180E+03   0.821E-06 0.215E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.460E-05 0.327E-05 0.179E-01   -.971E-14 0.313E-14 0.000E+00   -.446E-05 -.279E-05 -.305E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.037931
      0.00000      0.00000      2.36866         0.000001      0.000000     -0.003881
      1.42873      0.82488      4.68356        -0.000001     -0.000000      0.010258
      2.85746      1.64976      7.00081         0.000000     -0.000001      0.018345
      0.00000      0.00000      9.37699        -0.000000      0.000001      0.013209
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.014524


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438503 eV

  energy  without entropy=      -13.89788308  energy(sigma->0) =      -13.90221771
 
 d Force = 0.1251955E-04[ 0.153E-04, 0.978E-05]  d Energy = 0.2104946E-04-0.853E-05
 d Force = 0.1023708E+00[ 0.102E+00, 0.102E+00]  d Ewald  = 0.1023708E+00-0.858E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9506: real time      1.9626


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.305E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2418
 eigenvalue spectrum of G is  0.2418


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0746
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0842: real time      0.0853
    POTLOK:  cpu time      1.9504: real time      1.9623
    EDDIAG:  cpu time    587.4122: real time    592.3876
    CHARGE:  cpu time      0.2673: real time      0.2696
 writing wavefunctions
     LOOP+:  cpu time   6910.5750: real time   6969.1243


--------------------------------------- Iteration     45(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7311
    SETDIJ:  cpu time      1.2306: real time      1.2358
    TRIAL :  cpu time    588.9272: real time    593.9659
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2673: real time      0.2695
    --------------------------------------------
      LOOP:  cpu time    591.1639: real time    596.2170

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8938682E-03  (-0.3827886E-02)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009794 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.90624477
  -exchange      EXHF   =        33.25234519
  -V(xc)+E(xc)   XCENC  =       -83.55332655
  PAW double counting   =    100989.10812001  -100888.14890750
  entropy T*S    EENTRO =        -0.00650509
  eigenvalues    EBANDS =       -34.89036366
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90348451 eV

  energy without entropy =      -13.89697942  energy(sigma->0) =      -13.90131615
  exchange ACFDT corr.  =        -0.00583450  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2302: real time      1.2356
    TRIAL :  cpu time    590.1613: real time    595.2661
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2658: real time      0.2680
    --------------------------------------------
      LOOP:  cpu time    592.3846: real time    597.5031

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3067262E-03  (-0.2973795E-02)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009787 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.54454216
  -exchange      EXHF   =        33.25127369
  -V(xc)+E(xc)   XCENC  =       -83.55372411
  PAW double counting   =    100984.51601603  -100883.55674586
  entropy T*S    EENTRO =        -0.00649916
  eigenvalues    EBANDS =       -35.25037885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90317778 eV

  energy without entropy =      -13.89667862  energy(sigma->0) =      -13.90101140
  exchange ACFDT corr.  =        -0.00581094  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2294: real time      1.2349
    TRIAL :  cpu time    589.8768: real time    594.9400
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2664: real time      0.2686
    --------------------------------------------
      LOOP:  cpu time    592.0998: real time    597.1767

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1115246E-02  ( 0.2544303E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009781 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.45474982
  -exchange      EXHF   =        33.25094490
  -V(xc)+E(xc)   XCENC  =       -83.55384956
  PAW double counting   =    100984.33009742  -100883.37084485
  entropy T*S    EENTRO =        -0.00651211
  eigenvalues    EBANDS =       -35.34082053
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90429303 eV

  energy without entropy =      -13.89778092  energy(sigma->0) =      -13.90212233
  exchange ACFDT corr.  =        -0.00580606  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    589.4908: real time    594.5600
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2677: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    591.7163: real time    596.7997

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6020357E-04  (-0.6143969E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009778 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.60717609
  -exchange      EXHF   =        33.25128488
  -V(xc)+E(xc)   XCENC  =       -83.55372872
  PAW double counting   =    100987.05340825  -100886.09415315
  entropy T*S    EENTRO =        -0.00651840
  eigenvalues    EBANDS =       -35.18878445
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90423283 eV

  energy without entropy =      -13.89771443  energy(sigma->0) =      -13.90206003
  exchange ACFDT corr.  =        -0.00581533  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2298: real time      1.2356
    TRIAL :  cpu time    587.3289: real time    592.3864
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2674: real time      0.2696
    --------------------------------------------
      LOOP:  cpu time    589.5526: real time    594.6241

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1458156E-04  (-0.3839146E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009775 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.68565571
  -exchange      EXHF   =        33.25147840
  -V(xc)+E(xc)   XCENC  =       -83.55366120
  PAW double counting   =    100988.61189837  -100887.65264272
  entropy T*S    EENTRO =        -0.00651315
  eigenvalues    EBANDS =       -35.11054555
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90421824 eV

  energy without entropy =      -13.89770509  energy(sigma->0) =      -13.90204719
  exchange ACFDT corr.  =        -0.00582014  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7292
    SETDIJ:  cpu time      1.2316: real time      1.2373
    TRIAL :  cpu time    586.4526: real time    591.5009
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2671: real time      0.2693
    --------------------------------------------
      LOOP:  cpu time    588.6794: real time    593.7417

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1612670E-03  ( 0.1070021E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009772 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.62917955
  -exchange      EXHF   =        33.25134872
  -V(xc)+E(xc)   XCENC  =       -83.55371092
  PAW double counting   =    100988.62398190  -100887.66473689
  entropy T*S    EENTRO =        -0.00650777
  eigenvalues    EBANDS =       -35.16699820
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437951 eV

  energy without entropy =      -13.89787174  energy(sigma->0) =      -13.90221026
  exchange ACFDT corr.  =        -0.00581647  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7283
    SETDIJ:  cpu time      1.2302: real time      1.2359
    TRIAL :  cpu time    589.8420: real time    594.9201
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2671: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time    592.0658: real time    597.1588

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2246068E-04  (-0.1011654E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009770 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.57305215
  -exchange      EXHF   =        33.25122656
  -V(xc)+E(xc)   XCENC  =       -83.55375730
  PAW double counting   =    100988.49729770  -100887.53804536
  entropy T*S    EENTRO =        -0.00650906
  eigenvalues    EBANDS =       -35.22294731
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435705 eV

  energy without entropy =      -13.89784799  energy(sigma->0) =      -13.90218737
  exchange ACFDT corr.  =        -0.00581280  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    587.9355: real time    592.9897
    CORREC:  cpu time      0.0035: real time      0.0035
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    590.1599: real time    595.2277

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6417613E-05  (-0.4669241E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009767 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.58925276
  -exchange      EXHF   =        33.25129505
  -V(xc)+E(xc)   XCENC  =       -83.55373243
  PAW double counting   =    100989.24583795  -100888.28658322
  entropy T*S    EENTRO =        -0.00651232
  eigenvalues    EBANDS =       -35.20684758
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436347 eV

  energy without entropy =      -13.89785115  energy(sigma->0) =      -13.90219269
  exchange ACFDT corr.  =        -0.00581399  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2305: real time      1.2360
    TRIAL :  cpu time    588.7587: real time    593.8047
    CORREC:  cpu time      0.0035: real time      0.0036
    CHARGE:  cpu time      0.2667: real time      0.2690
    --------------------------------------------
      LOOP:  cpu time    590.9825: real time    596.0423

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2098804E-04  ( 0.1352026E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009763 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.62581496
  -exchange      EXHF   =        33.25140960
  -V(xc)+E(xc)   XCENC  =       -83.55368965
  PAW double counting   =    100990.41907280  -100889.45981665
  entropy T*S    EENTRO =        -0.00651258
  eigenvalues    EBANDS =       -35.17046185
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438446 eV

  energy without entropy =      -13.89787188  energy(sigma->0) =      -13.90221360
  exchange ACFDT corr.  =        -0.00581648  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2304: real time      1.2359
    TRIAL :  cpu time    588.5593: real time    593.5874
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2669: real time      0.2692
    --------------------------------------------
      LOOP:  cpu time    590.7839: real time    595.8257

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4254820E-05  (-0.1608287E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009758 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.62704309
  -exchange      EXHF   =        33.25141692
  -V(xc)+E(xc)   XCENC  =       -83.55368627
  PAW double counting   =    100991.14015948  -100890.18090285
  entropy T*S    EENTRO =        -0.00651112
  eigenvalues    EBANDS =       -35.16924039
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438020 eV

  energy without entropy =      -13.89786908  energy(sigma->0) =      -13.90220983
  exchange ACFDT corr.  =        -0.00581668  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     45(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7280
    SETDIJ:  cpu time      1.2315: real time      1.2368
    TRIAL :  cpu time    589.7544: real time    594.7805
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    586.1748: real time    591.1026
    CHARGE:  cpu time      0.2650: real time      0.2672
    --------------------------------------------
      LOOP:  cpu time   1178.1524: real time   1188.1201

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1980181E-05  (-0.5194819E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009755 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.66004432
  -Hartree energ DENC   =      -699.60820663
  -exchange      EXHF   =        33.25134514
  -V(xc)+E(xc)   XCENC  =       -83.55370628
  PAW double counting   =    100991.52647589  -100890.56721752
  entropy T*S    EENTRO =        -0.00651079
  eigenvalues    EBANDS =       -35.18800720
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438218 eV

  energy without entropy =      -13.89787139  energy(sigma->0) =      -13.90221192
  exchange ACFDT corr.  =        -0.00581557  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9609


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9076       2 -69.7833       3 -69.7705       4 -69.7695       5 -69.8880
 
 
 
 E-fermi :   3.1543     XC(G=0):  -5.1225     alpha+bet : -8.9779

 Fermi energy:         3.1543465212

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9600      1.00000
      3      -8.6062      1.00000
      4      -6.7742      1.00000
      5      -4.3345      1.00000
      6      -1.5917      1.00000
      7       1.6250      1.00000
      8       4.6122     -0.00000
      9       5.4035     -0.00000
     10       7.9247     -0.00000
     11       7.9794     -0.00000
     12      11.8854      0.00000
     13      12.1811      0.00000
     14      16.0584      0.00000
     15      16.0625      0.00000
     16      16.0690      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4976      0.00000
     16      12.7580      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4976      0.00000
     16      12.7599      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4977      0.00000
     16      12.7767      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5894      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5899      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5918      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8133      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8131      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8131      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4009      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4006      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4007      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6222      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6215      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6229      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0325      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0323      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0355      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0341      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0324      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0327      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6989      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6989      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0357      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0459      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0460      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58209
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58209
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8258      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6316     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8315      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6316     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8249      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8524      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8457      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8582      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6651      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6651      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6651      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6769      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6775      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6776      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2283     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2286     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2285     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2284     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2284     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2337     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8704      1.00000
      2      -0.8668      1.00000
      3      -0.8395      1.00000
      4      -0.0041      1.00000
      5       0.0893      1.00000
      6       0.0951      1.00000
      7       1.1053      1.00000
      8       1.1131      1.00000
      9       1.8008      1.00000
     10       2.6675      1.00155
     11       4.0784     -0.00000
     12       4.0848     -0.00000
     13       5.9825     -0.00000
     14       5.9862     -0.00000
     15       6.0665     -0.00000
     16       8.0126     -0.00000
 Fermi energy:         3.1543465212

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9600      1.00000
      3      -8.6062      1.00000
      4      -6.7742      1.00000
      5      -4.3345      1.00000
      6      -1.5917      1.00000
      7       1.6250      1.00000
      8       4.6122     -0.00000
      9       5.4035     -0.00000
     10       7.9247     -0.00000
     11       7.9794     -0.00000
     12      11.8854      0.00000
     13      12.1811      0.00000
     14      16.0593      0.00000
     15      16.0621      0.00000
     16      16.0699      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3961      1.00000
      4      -6.5624      1.00000
      5      -4.1185      1.00000
      6      -1.3816      1.00000
      7       1.8385      1.00000
      8       4.7953     -0.00000
      9       5.5779     -0.00000
     10       8.0927     -0.00000
     11       8.1446     -0.00000
     12      12.0153      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8776      0.00000
     16      14.3227      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4977      0.00000
     16      12.7663      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4976      0.00000
     16      12.7582      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1234      1.00000
      3      -7.7653      1.00000
      4      -5.9269      1.00000
      5      -3.4718      1.00000
      6      -0.7525      1.00000
      7       2.4645      1.00001
      8       5.3278     -0.00000
      9       6.0958     -0.00000
     10       8.4753     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2973      0.00000
     14      11.3899      0.00000
     15      12.4977      0.00000
     16      12.7606      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5896      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5914      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0764      1.00000
      3      -6.7129      1.00000
      4      -4.8678      1.00000
      5      -2.4001      1.00000
      6       0.2851      1.00000
      7       3.4210     -0.03389
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8887     -0.00000
     11       7.0425     -0.00000
     12       8.0772     -0.00000
     13       9.3947      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5902      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8133      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8139      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5515      1.00000
      2      -6.6077      1.00000
      3      -5.2373      1.00000
      4      -3.3887      1.00000
      5      -0.9341      1.00000
      6       1.5764      1.00000
      7       2.5454      1.00007
      8       3.5521     -0.00827
      9       4.8159     -0.00000
     10       5.1377     -0.00000
     11       6.5088     -0.00000
     12       7.6355     -0.00000
     13       8.2056     -0.00000
     14       8.7118      0.00000
     15      10.5105      0.00000
     16      10.8135      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4007      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4007      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6655      1.00000
      2      -4.7147      1.00000
      3      -3.3434      1.00000
      4      -1.5342      1.00000
      5      -0.6705      1.00000
      6       0.1426      1.00000
      7       1.1213      1.00000
      8       2.0279      1.00000
      9       3.6375     -0.00167
     10       3.7383     -0.00014
     11       5.9327     -0.00000
     12       6.7125     -0.00000
     13       8.2333     -0.00000
     14       9.1822      0.00000
     15       9.7447      0.00000
     16      10.4007      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3652      1.00000
      2      -3.3480      1.00000
      3      -2.4123      1.00000
      4      -2.4098      1.00000
      5      -1.2785      1.00000
      6      -0.8899      1.00000
      7       0.6252      1.00000
      8       1.3674      1.00000
      9       3.3848     -0.03457
     10       3.5264     -0.01218
     11       5.6714     -0.00000
     12       6.0166     -0.00000
     13       8.4122     -0.00000
     14       8.8628      0.00000
     15      10.2331      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6222      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6212      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3326      1.00000
      3      -7.9756      1.00000
      4      -6.1388      1.00000
      5      -3.6872      1.00000
      6      -0.9619      1.00000
      7       2.2587      1.00000
      8       5.1548     -0.00000
      9       5.9246     -0.00000
     10       8.4176     -0.00000
     11       8.4533     -0.00000
     12      11.4252      0.00000
     13      11.4415      0.00000
     14      11.9022      0.00000
     15      12.0428      0.00000
     16      12.6374      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4954      1.00000
      3      -7.1341      1.00000
      4      -5.2914      1.00000
      5      -2.8275      1.00000
      6      -0.1269      1.00000
      7       3.0637      0.84322
      8       5.8092     -0.00000
      9       6.5932     -0.00000
     10       7.8557     -0.00000
     11       8.6128     -0.00000
     12       8.9976      0.00000
     13       9.4152      0.00000
     14       9.8492      0.00000
     15      10.1809      0.00000
     16      10.7411      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0324      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0326      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0324      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0324      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0566      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1789      1.00000
      2      -7.2378      1.00000
      3      -5.8701      1.00000
      4      -4.0215      1.00000
      5      -1.5528      1.00000
      6       1.0913      1.00000
      7       3.8120     -0.00002
      8       4.6888     -0.00000
      9       5.4301     -0.00000
     10       6.5193     -0.00000
     11       7.0733     -0.00000
     12       7.6891     -0.00000
     13       8.1699     -0.00000
     14       8.8948      0.00000
     15       9.6197      0.00000
     16      10.0328      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5049      1.00000
      2      -5.5568      1.00000
      3      -4.1836      1.00000
      4      -2.3420      1.00000
      5       0.0173      1.00000
      6       1.0013      1.00000
      7       1.9992      1.00000
      8       2.9922      0.99262
      9       3.5339     -0.01095
     10       5.1815     -0.00000
     11       5.9063     -0.00000
     12       7.3273     -0.00000
     13       7.9815     -0.00000
     14       8.6407      0.00000
     15       9.0969      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6989      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6989      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6989      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4063      1.00000
      2      -3.4546      1.00000
      3      -2.1000      1.00000
      4      -1.8948      1.00000
      5      -1.0152      1.00000
      6      -0.3637      1.00000
      7       0.6487      1.00000
      8       2.2816      1.00000
      9       2.6586      1.00128
     10       4.7389     -0.00000
     11       4.8979     -0.00000
     12       7.0248     -0.00000
     13       7.4910     -0.00000
     14       8.0206     -0.00000
     15       8.8649      0.00000
     16       9.6990      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0373      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0386      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3879      1.00000
      2      -7.4477      1.00000
      3      -6.0810      1.00000
      4      -4.2328      1.00000
      5      -1.7625      1.00000
      6       0.8994      1.00000
      7       3.9605     -0.00000
      8       6.0166     -0.00000
      9       6.4966     -0.00000
     10       7.2400     -0.00000
     11       7.3121     -0.00000
     12       7.5188     -0.00000
     13       7.5960     -0.00000
     14       8.3908     -0.00000
     15       8.7510      0.00000
     16      10.0387      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58209
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9780      1.00000
      3      -4.6053      1.00000
      4      -2.7570      1.00000
      5      -0.3139      1.00000
      6       2.1615      1.00000
      7       3.1344      0.58210
      8       4.1265     -0.00000
      9       5.0897     -0.00000
     10       5.3700     -0.00000
     11       5.9178     -0.00000
     12       6.4971     -0.00000
     13       7.0114     -0.00000
     14       7.7625     -0.00000
     15       8.4001     -0.00000
     16       8.7497      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8346      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8221      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6316     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8318      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6316     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8396      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6316     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8346      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0376      1.00000
      2      -4.0856      1.00000
      3      -2.7150      1.00000
      4      -0.9161      1.00000
      5      -0.0540      1.00000
      6       0.7446      1.00000
      7       1.7119      1.00000
      8       2.5997      1.00031
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8666     -0.00000
     12       5.7483     -0.00000
     13       6.6315     -0.00000
     14       7.4062     -0.00000
     15       7.5281     -0.00000
     16       8.8567      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6650      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6650      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7395      1.00000
      2      -2.7220      1.00000
      3      -1.7980      1.00000
      4      -1.7782      1.00000
      5      -0.6643      1.00000
      6      -0.2771      1.00000
      7       1.2256      1.00000
      8       1.9603      1.00000
      9       3.7792     -0.00005
     10       3.8979     -0.00000
     11       4.7245     -0.00000
     12       5.7710     -0.00000
     13       6.3910     -0.00000
     14       6.7585     -0.00000
     15       7.1354     -0.00000
     16       8.6650      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6771      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6769      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2482      1.00000
      2      -4.2964      1.00000
      3      -2.9231      1.00000
      4      -1.0991      1.00000
      5       1.1520      1.00000
      6       2.1005      1.00000
      7       2.2647      1.00000
      8       3.0051      0.97477
      9       3.4706     -0.02390
     10       4.2393     -0.00000
     11       4.4912     -0.00000
     12       4.8635     -0.00000
     13       6.1977     -0.00000
     14       6.8395     -0.00000
     15       7.2527     -0.00000
     16       8.6771      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2284     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39922
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2285     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2285     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2290     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2286     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1502      1.00000
      2      -2.2019      1.00000
      3      -0.8630      1.00000
      4      -0.6486      1.00000
      5       0.2078      1.00000
      6       0.8190      1.00000
      7       1.7564      1.00000
      8       1.8355      1.00000
      9       2.5806      1.00019
     10       3.1783      0.39921
     11       4.1310     -0.00000
     12       4.6640     -0.00000
     13       6.0471     -0.00000
     14       6.1441     -0.00000
     15       6.3603     -0.00000
     16       8.2286     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8704      1.00000
      2      -0.8668      1.00000
      3      -0.8395      1.00000
      4      -0.0041      1.00000
      5       0.0893      1.00000
      6       0.0951      1.00000
      7       1.1053      1.00000
      8       1.1131      1.00000
      9       1.8008      1.00000
     10       2.6675      1.00155
     11       4.0784     -0.00000
     12       4.0848     -0.00000
     13       5.9825     -0.00000
     14       5.9862     -0.00000
     15       6.0665     -0.00000
     16       8.0129     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.769  23.498  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.759  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.759
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.925  -0.000  -0.147   0.000   0.000  -0.012  -0.000
-61.925  33.074   0.000   0.070  -0.000  -0.000   0.008   0.000
 -0.000   0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.147   0.070  -0.000   1.701   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.7503: real time    426.7811
    FORNL :  cpu time      0.4969: real time      0.5031
    FORCOR:  cpu time      1.9519: real time      1.9634
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.261E-05 -.206E-05 0.182E+03   0.416E-13 0.288E-13 -.181E+03   -.295E-05 0.225E-05 -.107E+01
   0.167E-05 0.289E-06 0.922E+02   0.306E-14 0.187E-14 -.922E+02   -.189E-05 -.254E-06 -.767E-01
   0.144E-05 -.841E-06 -.155E+00   -.147E-12 -.849E-13 0.147E+00   -.142E-05 0.953E-06 0.131E-01
   0.990E-06 0.180E-07 -.924E+02   0.133E-12 0.864E-13 0.923E+02   -.920E-06 0.223E-06 0.101E+00
   0.215E-05 0.453E-06 -.181E+03   -.401E-13 -.290E-13 0.180E+03   -.205E-05 -.512E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.899E-05 -.244E-05 -.127E-02   -.971E-14 0.313E-14 -.568E-13   -.923E-05 0.266E-05 0.466E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.032138
      0.00000      0.00000      2.36866         0.000000      0.000000     -0.004492
      1.42873      0.82488      4.68339        -0.000001     -0.000000      0.005589
      2.85746      1.64976      7.00061         0.000000      0.000000      0.015177
      0.00000      0.00000      9.37716        -0.000000     -0.000000      0.015864
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000763


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438218 eV

  energy  without entropy=      -13.89787139  energy(sigma->0) =      -13.90221192
 
 d Force =-0.2377972E-05[-0.145E-05,-0.331E-05]  d Energy =-0.2843648E-05 0.466E-06
 d Force = 0.1045562E-01[ 0.105E-01, 0.105E-01]  d Ewald  = 0.1045562E-01-0.205E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9563: real time      1.9678


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.257E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.2490
 eigenvalue spectrum of G is  0.2653  4.2327


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0737
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0853
    POTLOK:  cpu time      1.9539: real time      1.9660
    EDDIAG:  cpu time    586.5992: real time    591.5201
    CHARGE:  cpu time      0.2667: real time      0.2689
 writing wavefunctions
     LOOP+:  cpu time   8105.7548: real time   8174.7052


--------------------------------------- Iteration     46(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    586.9524: real time    591.9292
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2675: real time      0.2697
    --------------------------------------------
      LOOP:  cpu time    589.1878: real time    594.1791

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8640796E-05  (-0.2363802E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009742 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.70534701
  -Hartree energ DENC   =      -699.75784840
  -exchange      EXHF   =        33.25194036
  -V(xc)+E(xc)   XCENC  =       -83.55349692
  PAW double counting   =    100994.29108330  -100893.33186311
  entropy T*S    EENTRO =        -0.00650434
  eigenvalues    EBANDS =       -35.08440147
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437156 eV

  energy without entropy =      -13.89786722  energy(sigma->0) =      -13.90220345
  exchange ACFDT corr.  =        -0.00582242  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     46(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2308: real time      1.2363
    TRIAL :  cpu time    585.9801: real time    590.9610
    CORREC:  cpu time      0.0037: real time      0.0038
    EDDIAG:  cpu time    583.9266: real time    588.8580
    CHARGE:  cpu time      0.2679: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time   1172.1324: real time   1182.0586

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9148192E-05  ( 0.5429989E-06)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009736 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.70534701
  -Hartree energ DENC   =      -699.62447986
  -exchange      EXHF   =        33.25153303
  -V(xc)+E(xc)   XCENC  =       -83.55362374
  PAW double counting   =    100992.96022713  -100892.00100060
  entropy T*S    EENTRO =        -0.00650080
  eigenvalues    EBANDS =       -35.21733087
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438071 eV

  energy without entropy =      -13.89787990  energy(sigma->0) =      -13.90221377
  exchange ACFDT corr.  =        -0.00581367  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9954


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8945       2 -69.7777       3 -69.7757       4 -69.7813       5 -69.8988
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1224     alpha+bet : -8.9779

 Fermi energy:         3.1544452421

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8944      1.00000
      2      -9.9622      1.00000
      3      -8.6078      1.00000
      4      -6.7754      1.00000
      5      -4.3355      1.00000
      6      -1.5927      1.00000
      7       1.6243      1.00000
      8       4.6126     -0.00000
      9       5.4059     -0.00000
     10       7.9259     -0.00000
     11       7.9803     -0.00000
     12      11.8861      0.00000
     13      12.1816      0.00000
     14      16.0549      0.00000
     15      16.0592      0.00000
     16      16.0657      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4981      0.00000
     16      12.7574      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4981      0.00000
     16      12.7592      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4982      0.00000
     16      12.7757      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5881      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5716      0.00000
     15       9.7992      0.00000
     16      11.5887      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5717      0.00000
     15       9.7992      0.00000
     16      11.5905      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8138      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8137      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8137      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3974      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3972      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3972      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4541     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6219      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4541     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6214      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4541     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6222      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0319      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0318      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0348      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0336      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0318      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0321      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99278
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99278
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0361      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0466      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0467      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8246      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8295      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8234      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8512      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8450      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8577      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6765      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6770      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6771      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2273     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2277     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2275     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2275     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2275     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2328     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8729      1.00000
      2      -0.8712      1.00000
      3      -0.8427      1.00000
      4      -0.0068      1.00000
      5       0.0890      1.00000
      6       0.0915      1.00000
      7       1.1057      1.00000
      8       1.1081      1.00000
      9       1.8000      1.00000
     10       2.6668      1.00155
     11       4.0791     -0.00000
     12       4.0819     -0.00000
     13       5.9811     -0.00000
     14       5.9864     -0.00000
     15       6.0645     -0.00000
     16       8.0119     -0.00000
 Fermi energy:         3.1544452421

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8944      1.00000
      2      -9.9622      1.00000
      3      -8.6078      1.00000
      4      -6.7754      1.00000
      5      -4.3355      1.00000
      6      -1.5927      1.00000
      7       1.6243      1.00000
      8       4.6126     -0.00000
      9       5.4059     -0.00000
     10       7.9259     -0.00000
     11       7.9803     -0.00000
     12      11.8861      0.00000
     13      12.1816      0.00000
     14      16.0556      0.00000
     15      16.0583      0.00000
     16      16.0665      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6859      1.00000
      2      -9.7531      1.00000
      3      -8.3977      1.00000
      4      -6.5636      1.00000
      5      -4.1196      1.00000
      6      -1.3827      1.00000
      7       1.8378      1.00000
      8       4.7956     -0.00000
      9       5.5802     -0.00000
     10       8.0939     -0.00000
     11       8.1455     -0.00000
     12      12.0159      0.00000
     13      12.2766      0.00000
     14      13.1186      0.00000
     15      13.8756      0.00000
     16      14.3192      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4982      0.00000
     16      12.7657      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4981      0.00000
     16      12.7576      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0605      1.00000
      2      -9.1255      1.00000
      3      -7.7669      1.00000
      4      -5.9281      1.00000
      5      -3.4729      1.00000
      6      -0.7536      1.00000
      7       2.4638      1.00001
      8       5.3282     -0.00000
      9       6.0982     -0.00000
     10       8.4758     -0.00000
     11       8.6219      0.00000
     12       9.7247      0.00000
     13      10.2953      0.00000
     14      11.3883      0.00000
     15      12.4981      0.00000
     16      12.7601      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5716      0.00000
     15       9.7992      0.00000
     16      11.5883      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5716      0.00000
     15       9.7992      0.00000
     16      11.5901      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0175      1.00000
      2      -8.0786      1.00000
      3      -6.7145      1.00000
      4      -4.8690      1.00000
      5      -2.4012      1.00000
      6       0.2840      1.00000
      7       3.4201     -0.03388
      8       5.6418     -0.00000
      9       6.5337     -0.00000
     10       6.8866     -0.00000
     11       7.0442     -0.00000
     12       8.0757     -0.00000
     13       9.3954      0.00000
     14       9.5716      0.00000
     15       9.7992      0.00000
     16      11.5889      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8139      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8146      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5549      1.00000
      2      -6.6099      1.00000
      3      -5.2390      1.00000
      4      -3.3899      1.00000
      5      -0.9352      1.00000
      6       1.5748      1.00000
      7       2.5426      1.00007
      8       3.5502     -0.00832
      9       4.8147     -0.00000
     10       5.1363     -0.00000
     11       6.5076     -0.00000
     12       7.6358     -0.00000
     13       8.2078     -0.00000
     14       8.7107      0.00000
     15      10.5112      0.00000
     16      10.8142      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3972      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3972      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6689      1.00000
      2      -4.7169      1.00000
      3      -3.3450      1.00000
      4      -1.5354      1.00000
      5      -0.6739      1.00000
      6       0.1405      1.00000
      7       1.1202      1.00000
      8       2.0265      1.00000
      9       3.6366     -0.00167
     10       3.7369     -0.00014
     11       5.9316     -0.00000
     12       6.7117     -0.00000
     13       8.2322     -0.00000
     14       9.1825      0.00000
     15       9.7469      0.00000
     16      10.3972      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3686      1.00000
      2      -3.3514      1.00000
      3      -2.4143      1.00000
      4      -2.4123      1.00000
      5      -1.2805      1.00000
      6      -0.8913      1.00000
      7       0.6242      1.00000
      8       1.3662      1.00000
      9       3.3841     -0.03458
     10       3.5248     -0.01216
     11       5.6706     -0.00000
     12       6.0154     -0.00000
     13       8.4114     -0.00000
     14       8.8619      0.00000
     15      10.2297      0.00000
     16      10.5315      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4542     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6217      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4542     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2690      1.00000
      2      -9.3348      1.00000
      3      -7.9772      1.00000
      4      -6.1399      1.00000
      5      -3.6883      1.00000
      6      -0.9630      1.00000
      7       2.2579      1.00000
      8       5.1552     -0.00000
      9       5.9270     -0.00000
     10       8.4187     -0.00000
     11       8.4542     -0.00000
     12      11.4219      0.00000
     13      11.4385      0.00000
     14      11.9005      0.00000
     15      12.0415      0.00000
     16      12.6378      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4349      1.00000
      2      -8.4976      1.00000
      3      -7.1357      1.00000
      4      -5.2926      1.00000
      5      -2.8286      1.00000
      6      -0.1280      1.00000
      7       3.0629      0.84302
      8       5.8094     -0.00000
      9       6.5954     -0.00000
     10       7.8533     -0.00000
     11       8.6106     -0.00000
     12       8.9982      0.00000
     13       9.4154      0.00000
     14       9.8478      0.00000
     15      10.1781      0.00000
     16      10.7391      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0318      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0320      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0318      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0318      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0553      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1823      1.00000
      2      -7.2399      1.00000
      3      -5.8717      1.00000
      4      -4.0226      1.00000
      5      -1.5538      1.00000
      6       1.0901      1.00000
      7       3.8100     -0.00002
      8       4.6871     -0.00000
      9       5.4280     -0.00000
     10       6.5176     -0.00000
     11       7.0735     -0.00000
     12       7.6913     -0.00000
     13       8.1687     -0.00000
     14       8.8922      0.00000
     15       9.6176      0.00000
     16      10.0322      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5083      1.00000
      2      -5.5590      1.00000
      3      -4.1853      1.00000
      4      -2.3432      1.00000
      5       0.0159      1.00000
      6       0.9981      1.00000
      7       1.9973      1.00000
      8       2.9912      0.99279
      9       3.5321     -0.01098
     10       5.1803     -0.00000
     11       5.9054     -0.00000
     12       7.3259     -0.00000
     13       7.9798     -0.00000
     14       8.6401      0.00000
     15       9.0989      0.00000
     16       9.1403      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6981      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4097      1.00000
      2      -3.4568      1.00000
      3      -2.1017      1.00000
      4      -1.8981      1.00000
      5      -1.0175      1.00000
      6      -0.3650      1.00000
      7       0.6474      1.00000
      8       2.2809      1.00000
      9       2.6571      1.00128
     10       4.7377     -0.00000
     11       4.8969     -0.00000
     12       7.0233     -0.00000
     13       7.4895     -0.00000
     14       8.0191     -0.00000
     15       8.8628      0.00000
     16       9.6982      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0379      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0389      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3913      1.00000
      2      -7.4499      1.00000
      3      -6.0826      1.00000
      4      -4.2340      1.00000
      5      -1.7635      1.00000
      6       0.8983      1.00000
      7       3.9596     -0.00000
      8       6.0147     -0.00000
      9       6.4943     -0.00000
     10       7.2386     -0.00000
     11       7.3100     -0.00000
     12       7.5173     -0.00000
     13       7.5975     -0.00000
     14       8.3892     -0.00000
     15       8.7494      0.00000
     16      10.0393      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9278      1.00000
      2      -5.9802      1.00000
      3      -4.6069      1.00000
      4      -2.7582      1.00000
      5      -0.3151      1.00000
      6       2.1599      1.00000
      7       3.1315      0.58173
      8       4.1246     -0.00000
      9       5.0874     -0.00000
     10       5.3683     -0.00000
     11       5.9161     -0.00000
     12       6.4952     -0.00000
     13       7.0099     -0.00000
     14       7.7613     -0.00000
     15       8.4002     -0.00000
     16       8.7518      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8331      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8207      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8297      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8375      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8328      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0410      1.00000
      2      -4.0878      1.00000
      3      -2.7166      1.00000
      4      -0.9174      1.00000
      5      -0.0574      1.00000
      6       0.7425      1.00000
      7       1.7107      1.00000
      8       2.5982      1.00031
      9       4.0690     -0.00000
     10       4.2564     -0.00000
     11       4.8638     -0.00000
     12       5.7466     -0.00000
     13       6.6308     -0.00000
     14       7.4049     -0.00000
     15       7.5268     -0.00000
     16       8.8559      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7429      1.00000
      2      -2.7253      1.00000
      3      -1.8004      1.00000
      4      -1.7802      1.00000
      5      -0.6663      1.00000
      6      -0.2785      1.00000
      7       1.2246      1.00000
      8       1.9591      1.00000
      9       3.7784     -0.00005
     10       3.8956     -0.00000
     11       4.7218     -0.00000
     12       5.7696     -0.00000
     13       6.3905     -0.00000
     14       6.7572     -0.00000
     15       7.1337     -0.00000
     16       8.6638      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6766      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6765      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2516      1.00000
      2      -4.2986      1.00000
      3      -2.9247      1.00000
      4      -1.1004      1.00000
      5       1.1505      1.00000
      6       2.0971      1.00000
      7       2.2615      1.00000
      8       3.0030      0.97520
      9       3.4692     -0.02401
     10       4.2379     -0.00000
     11       4.4895     -0.00000
     12       4.8621     -0.00000
     13       6.1967     -0.00000
     14       6.8383     -0.00000
     15       7.2518     -0.00000
     16       8.6766      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2275     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2276     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2276     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39949
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2281     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2276     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1536      1.00000
      2      -2.2041      1.00000
      3      -0.8648      1.00000
      4      -0.6519      1.00000
      5       0.2054      1.00000
      6       0.8176      1.00000
      7       1.7534      1.00000
      8       1.8335      1.00000
      9       2.5787      1.00019
     10       3.1772      0.39950
     11       4.1296     -0.00000
     12       4.6629     -0.00000
     13       6.0466     -0.00000
     14       6.1427     -0.00000
     15       6.3589     -0.00000
     16       8.2277     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8729      1.00000
      2      -0.8712      1.00000
      3      -0.8427      1.00000
      4      -0.0068      1.00000
      5       0.0890      1.00000
      6       0.0915      1.00000
      7       1.1057      1.00000
      8       1.1081      1.00000
      9       1.8000      1.00000
     10       2.6668      1.00155
     11       4.0791     -0.00000
     12       4.0819     -0.00000
     13       5.9811     -0.00000
     14       5.9864     -0.00000
     15       6.0645     -0.00000
     16       8.0122     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.946 -61.926   0.000  -0.147   0.000  -0.000  -0.012  -0.000
-61.926  33.075  -0.000   0.070  -0.000   0.000   0.008   0.000
  0.000  -0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.147   0.070  -0.000   1.702   0.000   0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7644: real time    427.8320
    FORNL :  cpu time      0.4976: real time      0.5036
    FORCOR:  cpu time      1.9551: real time      1.9666
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.690E-06 0.333E-05 0.182E+03   0.419E-13 0.280E-13 -.181E+03   -.908E-06 -.343E-05 -.107E+01
   0.231E-05 0.552E-06 0.922E+02   0.270E-14 -.710E-15 -.922E+02   -.223E-05 -.710E-06 -.774E-01
   0.818E-07 0.650E-06 -.142E+00   -.148E-12 -.828E-13 0.138E+00   0.432E-06 -.751E-06 0.716E-02
   0.278E-05 -.592E-06 -.924E+02   0.139E-12 0.821E-13 0.923E+02   -.221E-05 -.157E-06 0.976E-01
   0.349E-07 -.560E-05 -.181E+03   -.447E-13 -.235E-13 0.180E+03   -.156E-06 0.651E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.542E-05 -.217E-05 -.581E-03   -.971E-14 0.313E-14 0.568E-13   -.507E-05 0.147E-05 -.212E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.040679
      0.00000      0.00000      2.36871         0.000000     -0.000000     -0.016066
      1.42873      0.82488      4.68357        -0.000000     -0.000000      0.002775
      2.85746      1.64976      7.00070         0.000001     -0.000001      0.023802
      0.00000      0.00000      9.37688        -0.000000      0.000001      0.030167
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001     -0.000831


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438071 eV

  energy  without entropy=      -13.89787990  energy(sigma->0) =      -13.90221377
 
 d Force =-0.4242893E-05[-0.633E-05,-0.216E-05]  d Energy =-0.1472785E-05-0.277E-05
 d Force =-0.4530268E-01[-0.453E-01,-0.453E-01]  d Ewald  =-0.4530268E-01 0.219E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9529: real time      1.9646


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.841E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.5969
 eigenvalue spectrum of G is  1.0114  0.1823


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0577
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9525: real time      1.9651
    EDDIAG:  cpu time    585.7385: real time    590.7211
    CHARGE:  cpu time      0.2678: real time      0.2700
 writing wavefunctions
     LOOP+:  cpu time   2779.4841: real time   2802.7206


--------------------------------------- Iteration     47(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7301
    SETDIJ:  cpu time      1.2308: real time      1.2365
    TRIAL :  cpu time    591.5051: real time    596.5940
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2684: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    593.7428: real time    598.8464

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6511426E-03  (-0.1611503E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009813 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -700.51466560
  -exchange      EXHF   =        33.25393497
  -V(xc)+E(xc)   XCENC  =       -83.55268931
  PAW double counting   =    101003.78313855  -100902.82388808
  entropy T*S    EENTRO =        -0.00653916
  eigenvalues    EBANDS =       -34.20166873
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90372042 eV

  energy without entropy =      -13.89718126  energy(sigma->0) =      -13.90154070
  exchange ACFDT corr.  =        -0.00589812  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7294
    SETDIJ:  cpu time      1.2316: real time      1.2370
    TRIAL :  cpu time    587.9978: real time    593.0640
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2676: real time      0.2697
    --------------------------------------------
      LOOP:  cpu time    590.2250: real time    595.3050

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5920859E-03  ( 0.7329583E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009791 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.33665547
  -exchange      EXHF   =        33.25036806
  -V(xc)+E(xc)   XCENC  =       -83.55401627
  PAW double counting   =    100989.15735372  -100888.19804421
  entropy T*S    EENTRO =        -0.00651225
  eigenvalues    EBANDS =       -35.37552943
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90431250 eV

  energy without entropy =      -13.89780025  energy(sigma->0) =      -13.90214175
  exchange ACFDT corr.  =        -0.00655921  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2301: real time      1.2359
    TRIAL :  cpu time    587.5811: real time    592.6443
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2679: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time    589.8055: real time    594.8829

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1483026E-03  (-0.4298918E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009782 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.01268912
  -exchange      EXHF   =        33.24905188
  -V(xc)+E(xc)   XCENC  =       -83.55451415
  PAW double counting   =    100985.83958765  -100884.88023983
  entropy T*S    EENTRO =        -0.00655647
  eigenvalues    EBANDS =       -35.69759864
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90416420 eV

  energy without entropy =      -13.89760773  energy(sigma->0) =      -13.90197871
  exchange ACFDT corr.  =        -0.00580171  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2314: real time      1.2369
    TRIAL :  cpu time    586.5092: real time    591.5540
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2676: real time      0.2698
    --------------------------------------------
      LOOP:  cpu time    588.7352: real time    593.7936

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2148179E-03  (-0.5309603E-05)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009788 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.50762114
  -exchange      EXHF   =        33.25006297
  -V(xc)+E(xc)   XCENC  =       -83.55415776
  PAW double counting   =    100992.73459961  -100891.77527573
  entropy T*S    EENTRO =        -0.00657773
  eigenvalues    EBANDS =       -35.20418077
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437902 eV

  energy without entropy =      -13.89780129  energy(sigma->0) =      -13.90218644
  exchange ACFDT corr.  =        -0.00587410  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2322: real time      1.2377
    TRIAL :  cpu time    592.3510: real time    597.4593
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2676: real time      0.2698
    --------------------------------------------
      LOOP:  cpu time    594.5778: real time    599.6998

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5496461E-04  (-0.8904189E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009798 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.77562791
  -exchange      EXHF   =        33.25074902
  -V(xc)+E(xc)   XCENC  =       -83.55391839
  PAW double counting   =    100996.18784839  -100895.22854171
  entropy T*S    EENTRO =        -0.00655966
  eigenvalues    EBANDS =       -34.93700599
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432405 eV

  energy without entropy =      -13.89776439  energy(sigma->0) =      -13.90213750
  exchange ACFDT corr.  =        -0.00584884  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7305
    SETDIJ:  cpu time      1.2303: real time      1.2357
    TRIAL :  cpu time    586.4214: real time    591.4999
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2679: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    588.6495: real time    593.7418

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5584481E-04  (-0.2199621E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009807 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.58346970
  -exchange      EXHF   =        33.25035372
  -V(xc)+E(xc)   XCENC  =       -83.55407442
  PAW double counting   =    100993.50004507  -100892.54075851
  entropy T*S    EENTRO =        -0.00654273
  eigenvalues    EBANDS =       -35.12866666
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437990 eV

  energy without entropy =      -13.89783716  energy(sigma->0) =      -13.90219899
  exchange ACFDT corr.  =        -0.00583630  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7203: real time      0.7272
    SETDIJ:  cpu time      1.2297: real time      1.2350
    TRIAL :  cpu time    594.5372: real time    599.6670
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    596.7601: real time    601.9044

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6873146E-05  (-0.1163373E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009813 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.40344466
  -exchange      EXHF   =        33.25001441
  -V(xc)+E(xc)   XCENC  =       -83.55420455
  PAW double counting   =    100991.05717902  -100890.09789378
  entropy T*S    EENTRO =        -0.00654808
  eigenvalues    EBANDS =       -35.30823099
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437303 eV

  energy without entropy =      -13.89782495  energy(sigma->0) =      -13.90219033
  exchange ACFDT corr.  =        -0.00582532  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2303: real time      1.2357
    TRIAL :  cpu time    588.5333: real time    593.5869
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    590.7592: real time    595.8265

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8652642E-05  (-0.1245581E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009814 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.46728709
  -exchange      EXHF   =        33.25029628
  -V(xc)+E(xc)   XCENC  =       -83.55409946
  PAW double counting   =    100992.02308242  -100891.06381377
  entropy T*S    EENTRO =        -0.00655885
  eigenvalues    EBANDS =       -35.24476225
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438168 eV

  energy without entropy =      -13.89782283  energy(sigma->0) =      -13.90219540
  exchange ACFDT corr.  =        -0.00583009  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     47(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7289
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    588.8381: real time    593.8595
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    585.6938: real time    590.6590
    CHARGE:  cpu time      0.2669: real time      0.2691
    --------------------------------------------
      LOOP:  cpu time   1176.7577: real time   1186.7579

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2226225E-05  (-0.2483848E-06)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009812 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.57736602
  -Hartree energ DENC   =      -699.58449198
  -exchange      EXHF   =        33.25066076
  -V(xc)+E(xc)   XCENC  =       -83.55396216
  PAW double counting   =    100993.91009497  -100892.95083285
  entropy T*S    EENTRO =        -0.00655975
  eigenvalues    EBANDS =       -35.12804205
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438391 eV

  energy without entropy =      -13.89782416  energy(sigma->0) =      -13.90219732
  exchange ACFDT corr.  =        -0.00583838  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8733


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8980       2 -69.7683       3 -69.7598       4 -69.7715       5 -69.9023
 
 
 
 E-fermi :   3.1541     XC(G=0):  -5.1226     alpha+bet : -8.9779

 Fermi energy:         3.1541482481

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8838      1.00000
      2      -9.9554      1.00000
      3      -8.6030      1.00000
      4      -6.7725      1.00000
      5      -4.3322      1.00000
      6      -1.5895      1.00000
      7       1.6267      1.00000
      8       4.6110     -0.00000
      9       5.3988     -0.00000
     10       7.9222     -0.00000
     11       7.9777     -0.00000
     12      11.8839      0.00000
     13      12.1801      0.00000
     14      16.0659      0.00000
     15      16.0698      0.00000
     16      16.0760      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7590      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7605      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7771      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5920      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5926      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5943      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8119      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8116      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8114      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4080      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4078      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4079      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2584      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6224      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2584      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6219      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2584      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6228      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0336      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0361      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0350      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0336      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0339      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4977      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0201      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4977      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0201      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4977      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4977      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7004      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0344      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0439      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0443      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58313
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58313
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8288      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8333      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8274      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8544      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8477      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8602      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6778      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6783      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6784      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39894
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2302     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39894
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2351     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8623      1.00000
      2      -0.8603      1.00000
      3      -0.8326      1.00000
      4       0.0011      1.00000
      5       0.0953      1.00000
      6       0.0985      1.00000
      7       1.1118      1.00000
      8       1.1152      1.00000
      9       1.8023      1.00000
     10       2.6683      1.00153
     11       4.0819     -0.00000
     12       4.0847     -0.00000
     13       5.9826     -0.00000
     14       5.9886     -0.00000
     15       6.0709     -0.00000
     16       8.0135     -0.00000
 Fermi energy:         3.1541482481

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8838      1.00000
      2      -9.9554      1.00000
      3      -8.6030      1.00000
      4      -6.7725      1.00000
      5      -4.3322      1.00000
      6      -1.5895      1.00000
      7       1.6267      1.00000
      8       4.6110     -0.00000
      9       5.3988     -0.00000
     10       7.9222     -0.00000
     11       7.9777     -0.00000
     12      11.8839      0.00000
     13      12.1801      0.00000
     14      16.0665      0.00000
     15      16.0691      0.00000
     16      16.0766      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6754      1.00000
      2      -9.7463      1.00000
      3      -8.3928      1.00000
      4      -6.5607      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8402      1.00000
      8       4.7941     -0.00000
      9       5.5732     -0.00000
     10       8.0902     -0.00000
     11       8.1428     -0.00000
     12      12.0140      0.00000
     13      12.2754      0.00000
     14      13.1290      0.00000
     15      13.8820      0.00000
     16      14.3299      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7662      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7592      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0499      1.00000
      2      -9.1187      1.00000
      3      -7.7621      1.00000
      4      -5.9252      1.00000
      5      -3.4696      1.00000
      6      -0.7504      1.00000
      7       2.4662      1.00001
      8       5.3267     -0.00000
      9       6.0912     -0.00000
     10       8.4742     -0.00000
     11       8.6188      0.00000
     12       9.7339      0.00000
     13      10.3014      0.00000
     14      11.3929      0.00000
     15      12.4968      0.00000
     16      12.7609      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5922      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5939      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0069      1.00000
      2      -8.0718      1.00000
      3      -6.7097      1.00000
      4      -4.8660      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03389
      8       5.6474     -0.00000
      9       6.5345     -0.00000
     10       6.8934     -0.00000
     11       7.0389     -0.00000
     12       8.0802     -0.00000
     13       9.3932      0.00000
     14       9.5713      0.00000
     15       9.7995      0.00000
     16      11.5928      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8116      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8121      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5444      1.00000
      2      -6.6030      1.00000
      3      -5.2340      1.00000
      4      -3.3869      1.00000
      5      -0.9317      1.00000
      6       1.5795      1.00000
      7       2.5511      1.00007
      8       3.5563     -0.00808
      9       4.8185     -0.00000
     10       5.1405     -0.00000
     11       6.5105     -0.00000
     12       7.6344     -0.00000
     13       8.2011     -0.00000
     14       8.7141      0.00000
     15      10.5091      0.00000
     16      10.8118      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4079      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4079      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6584      1.00000
      2      -4.7099      1.00000
      3      -3.3400      1.00000
      4      -1.5322      1.00000
      5      -0.6633      1.00000
      6       0.1469      1.00000
      7       1.1236      1.00000
      8       2.0308      1.00000
      9       3.6389     -0.00169
     10       3.7412     -0.00015
     11       5.9348     -0.00000
     12       6.7142     -0.00000
     13       8.2354     -0.00000
     14       9.1814      0.00000
     15       9.7402      0.00000
     16      10.4079      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3580      1.00000
      2      -3.3410      1.00000
      3      -2.4076      1.00000
      4      -2.4049      1.00000
      5      -1.2745      1.00000
      6      -0.8872      1.00000
      7       0.6266      1.00000
      8       1.3692      1.00000
      9       3.3860     -0.03455
     10       3.5298     -0.01220
     11       5.6730     -0.00000
     12       6.0190     -0.00000
     13       8.4138     -0.00000
     14       8.8645      0.00000
     15      10.2403      0.00000
     16      10.5336      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2585      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6223      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2585      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6217      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2585      1.00000
      2      -9.3280      1.00000
      3      -7.9724      1.00000
      4      -6.1370      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2604      1.00000
      8       5.1536     -0.00000
      9       5.9200     -0.00000
     10       8.4151     -0.00000
     11       8.4517     -0.00000
     12      11.4321      0.00000
     13      11.4478      0.00000
     14      11.9054      0.00000
     15      12.0461      0.00000
     16      12.6372      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4243      1.00000
      2      -8.4908      1.00000
      3      -7.1308      1.00000
      4      -5.2896      1.00000
      5      -2.8253      1.00000
      6      -0.1247      1.00000
      7       3.0653      0.84332
      8       5.8084     -0.00000
      9       6.5888     -0.00000
     10       7.8606     -0.00000
     11       8.6177     -0.00000
     12       8.9964      0.00000
     13       9.4148      0.00000
     14       9.8522      0.00000
     15      10.1868      0.00000
     16      10.7453      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0336      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0338      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0336      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0336      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0504      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1717      1.00000
      2      -7.2331      1.00000
      3      -5.8668      1.00000
      4      -4.0196      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8161     -0.00002
      8       4.6927     -0.00000
      9       5.4346     -0.00000
     10       6.5228     -0.00000
     11       7.0726     -0.00000
     12       7.6847     -0.00000
     13       8.1718     -0.00000
     14       8.9000      0.00000
     15       9.6243      0.00000
     16      10.0339      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4978      1.00000
      2      -5.5521      1.00000
      3      -4.1803      1.00000
      4      -2.3401      1.00000
      5       0.0202      1.00000
      6       1.0079      1.00000
      7       2.0031      1.00000
      8       2.9943      0.99216
      9       3.5374     -0.01084
     10       5.1836     -0.00000
     11       5.9080     -0.00000
     12       7.3303     -0.00000
     13       7.9850     -0.00000
     14       8.6415      0.00000
     15       9.0931      0.00000
     16       9.1467      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7004      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3991      1.00000
      2      -3.4498      1.00000
      3      -2.0965      1.00000
      4      -1.8877      1.00000
      5      -1.0103      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2827      1.00000
      9       2.6615      1.00127
     10       4.7417     -0.00000
     11       4.8997     -0.00000
     12       7.0279     -0.00000
     13       7.4943     -0.00000
     14       8.0238     -0.00000
     15       8.8693      0.00000
     16       9.7005      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0360      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0371      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3808      1.00000
      2      -7.4430      1.00000
      3      -6.0777      1.00000
      4      -4.2310      1.00000
      5      -1.7602      1.00000
      6       0.9016      1.00000
      7       3.9624     -0.00000
      8       6.0207     -0.00000
      9       6.5017     -0.00000
     10       7.2430     -0.00000
     11       7.3161     -0.00000
     12       7.5224     -0.00000
     13       7.5929     -0.00000
     14       8.3938     -0.00000
     15       8.7542      0.00000
     16      10.0372      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58313
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58313
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9173      1.00000
      2      -5.9733      1.00000
      3      -4.6020      1.00000
      4      -2.7552      1.00000
      5      -0.3116      1.00000
      6       2.1647      1.00000
      7       3.1401      0.58314
      8       4.1307     -0.00000
      9       5.0947     -0.00000
     10       5.3734     -0.00000
     11       5.9215     -0.00000
     12       6.5007     -0.00000
     13       7.0141     -0.00000
     14       7.7648     -0.00000
     15       8.3995     -0.00000
     16       8.7455      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8372      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8251      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8335      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8411      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8361      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0305      1.00000
      2      -4.0808      1.00000
      3      -2.7116      1.00000
      4      -0.9141      1.00000
      5      -0.0468      1.00000
      6       0.7490      1.00000
      7       1.7143      1.00000
      8       2.6026      1.00032
      9       4.0721     -0.00000
     10       4.2619     -0.00000
     11       4.8723     -0.00000
     12       5.7521     -0.00000
     13       6.6331     -0.00000
     14       7.4087     -0.00000
     15       7.5308     -0.00000
     16       8.8589      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7322      1.00000
      2      -2.7149      1.00000
      3      -1.7930      1.00000
      4      -1.7735      1.00000
      5      -0.6602      1.00000
      6      -0.2743      1.00000
      7       1.2271      1.00000
      8       1.9621      1.00000
      9       3.7812     -0.00005
     10       3.9025     -0.00000
     11       4.7301     -0.00000
     12       5.7740     -0.00000
     13       6.3919     -0.00000
     14       6.7614     -0.00000
     15       7.1389     -0.00000
     16       8.6672      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6780      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6778      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2917      1.00000
      3      -2.9197      1.00000
      4      -1.0972      1.00000
      5       1.1552      1.00000
      6       2.1077      1.00000
      7       2.2710      1.00000
      8       3.0096      0.97316
      9       3.4740     -0.02352
     10       4.2420     -0.00000
     11       4.4948     -0.00000
     12       4.8664     -0.00000
     13       6.1990     -0.00000
     14       6.8416     -0.00000
     15       7.2543     -0.00000
     16       8.6779      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2309     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1431      1.00000
      2      -2.1970      1.00000
      3      -0.8594      1.00000
      4      -0.6416      1.00000
      5       0.2126      1.00000
      6       0.8215      1.00000
      7       1.7628      1.00000
      8       1.8391      1.00000
      9       2.5846      1.00020
     10       3.1801      0.39895
     11       4.1337     -0.00000
     12       4.6661     -0.00000
     13       6.0480     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2306     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8623      1.00000
      2      -0.8603      1.00000
      3      -0.8326      1.00000
      4       0.0011      1.00000
      5       0.0953      1.00000
      6       0.0985      1.00000
      7       1.1118      1.00000
      8       1.1152      1.00000
      9       1.8023      1.00000
     10       2.6683      1.00153
     11       4.0819     -0.00000
     12       4.0847     -0.00000
     13       5.9826     -0.00000
     14       5.9886     -0.00000
     15       6.0709     -0.00000
     16       8.0139     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468   0.000   0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.941 -61.924  -0.000  -0.147  -0.000   0.000  -0.012   0.000
-61.924  33.074   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.065   0.000  -0.000  -0.320   0.000   0.000
 -0.147   0.070   0.000   1.701  -0.000  -0.000  -0.261   0.000
 -0.000   0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008   0.000  -0.261   0.000   0.000   0.040   0.000
  0.000  -0.000   0.000   0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6707: real time    426.7383
    FORNL :  cpu time      0.4979: real time      0.5040
    FORCOR:  cpu time      1.9509: real time      1.9629
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.282E-05 -.222E-05 0.182E+03   0.408E-13 0.254E-13 -.181E+03   -.328E-05 0.261E-05 -.107E+01
   0.110E-05 -.184E-06 0.922E+02   0.284E-14 0.330E-14 -.922E+02   -.971E-06 -.222E-07 -.811E-01
   -.328E-06 -.157E-05 -.183E+00   -.144E-12 -.764E-13 0.173E+00   0.161E-07 0.135E-05 0.172E-01
   -.508E-06 -.866E-06 -.924E+02   0.133E-12 0.726E-13 0.923E+02   0.123E-06 0.785E-06 0.107E+00
   -.104E-05 0.174E-05 -.181E+03   -.418E-13 -.217E-13 0.180E+03   0.152E-05 -.191E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.227E-05 -.316E-05 -.451E-02   -.971E-14 0.313E-14 0.000E+00   -.259E-05 0.282E-05 0.178E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000001     -0.021224
      0.00000      0.00000      2.36894        -0.000000     -0.000000      0.003415
      1.42873      0.82488      4.68300        -0.000000     -0.000000      0.007193
      2.85746      1.64976      7.00024        -0.000000      0.000000      0.007373
      0.00000      0.00000      9.37795         0.000000     -0.000000      0.003244
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.002653


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438391 eV

  energy  without entropy=      -13.89782416  energy(sigma->0) =      -13.90219732
 
 d Force = 0.6286013E-05[-0.325E-05, 0.158E-04]  d Energy = 0.3196401E-05 0.309E-05
 d Force = 0.1279810E+00[ 0.128E+00, 0.128E+00]  d Ewald  = 0.1279810E+00-0.124E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9533: real time      1.9653


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.619E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2837
 eigenvalue spectrum of G is  0.2837


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0748
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0844
    POTLOK:  cpu time      1.9545: real time      1.9669
    EDDIAG:  cpu time    587.7793: real time    592.7416
    CHARGE:  cpu time      0.2674: real time      0.2696
 writing wavefunctions
     LOOP+:  cpu time   6929.1190: real time   6988.1548


--------------------------------------- Iteration     48(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7310
    SETDIJ:  cpu time      1.2298: real time      1.2352
    TRIAL :  cpu time    591.4849: real time    596.5594
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    593.7223: real time    598.8111

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3318245E-03  (-0.8792737E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009807 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -698.83380881
  -exchange      EXHF   =        33.24814856
  -V(xc)+E(xc)   XCENC  =       -83.55491423
  PAW double counting   =    100984.85204980  -100883.89268307
  entropy T*S    EENTRO =        -0.00657182
  eigenvalues    EBANDS =       -35.85019078
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90404985 eV

  energy without entropy =      -13.89747803  energy(sigma->0) =      -13.90185925
  exchange ACFDT corr.  =        -0.00579068  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2317: real time      1.2371
    TRIAL :  cpu time    591.2004: real time    596.2743
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    593.4281: real time    598.5156

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2940143E-03  ( 0.5688721E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009821 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.66546300
  -exchange      EXHF   =        33.25045715
  -V(xc)+E(xc)   XCENC  =       -83.55406044
  PAW double counting   =    100995.38071474  -100894.42141440
  entropy T*S    EENTRO =        -0.00659053
  eigenvalues    EBANDS =       -35.02185111
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434387 eV

  energy without entropy =      -13.89775334  energy(sigma->0) =      -13.90214703
  exchange ACFDT corr.  =        -0.00588597  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2329: real time      1.2382
    TRIAL :  cpu time    591.2660: real time    596.3429
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2669: real time      0.2691
    --------------------------------------------
      LOOP:  cpu time    593.4927: real time    598.5833

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6613624E-04  (-0.2213924E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009828 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.87834192
  -exchange      EXHF   =        33.25119436
  -V(xc)+E(xc)   XCENC  =       -83.55378181
  PAW double counting   =    100997.77821740  -100896.81894305
  entropy T*S    EENTRO =        -0.00656013
  eigenvalues    EBANDS =       -34.80987718
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427773 eV

  energy without entropy =      -13.89771760  energy(sigma->0) =      -13.90209102
  exchange ACFDT corr.  =        -0.00586025  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7298
    SETDIJ:  cpu time      1.2301: real time      1.2359
    TRIAL :  cpu time    591.2822: real time    596.3695
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2678: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    593.5085: real time    598.6099

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1113096E-03  (-0.1091563E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009829 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.51089530
  -exchange      EXHF   =        33.25033169
  -V(xc)+E(xc)   XCENC  =       -83.55409250
  PAW double counting   =    100992.89003141  -100891.93075255
  entropy T*S    EENTRO =        -0.00654378
  eigenvalues    EBANDS =       -35.17629666
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438904 eV

  energy without entropy =      -13.89784527  energy(sigma->0) =      -13.90220778
  exchange ACFDT corr.  =        -0.00583774  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2298: real time      1.2364
    TRIAL :  cpu time    588.0676: real time    593.0796
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    590.2929: real time    595.3198

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2917598E-04  (-0.5054202E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009824 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.31738019
  -exchange      EXHF   =        33.24987525
  -V(xc)+E(xc)   XCENC  =       -83.55425367
  PAW double counting   =    100990.58095324  -100889.62165985
  entropy T*S    EENTRO =        -0.00655720
  eigenvalues    EBANDS =       -35.36919587
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435987 eV

  energy without entropy =      -13.89780266  energy(sigma->0) =      -13.90217413
  exchange ACFDT corr.  =        -0.00582619  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2305: real time      1.2359
    TRIAL :  cpu time    589.6432: real time    594.6827
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    591.8687: real time    596.9218

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3044953E-04  (-0.1072263E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009816 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.46367882
  -exchange      EXHF   =        33.25026867
  -V(xc)+E(xc)   XCENC  =       -83.55410219
  PAW double counting   =    100993.02175714  -100892.06246289
  entropy T*S    EENTRO =        -0.00656938
  eigenvalues    EBANDS =       -35.22346003
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439032 eV

  energy without entropy =      -13.89782093  energy(sigma->0) =      -13.90220052
  exchange ACFDT corr.  =        -0.00583589  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     48(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2328: real time      1.2382
    TRIAL :  cpu time    590.7669: real time    595.8478
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    587.3882: real time    592.3089
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time   1180.3829: real time   1190.3983

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4476649E-05  (-0.7396005E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009811 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.55246076
  -Hartree energ DENC   =      -699.60142311
  -exchange      EXHF   =        33.25047969
  -V(xc)+E(xc)   XCENC  =       -83.55397117
  PAW double counting   =    100995.50400468  -100894.54471100
  entropy T*S    EENTRO =        -0.00656564
  eigenvalues    EBANDS =       -35.08617325
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438584 eV

  energy without entropy =      -13.89782020  energy(sigma->0) =      -13.90219729
  exchange ACFDT corr.  =        -0.00584469  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0434


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9053       2 -69.7669       3 -69.7503       4 -69.7636       5 -69.9000
 
 
 
 E-fermi :   3.1541     XC(G=0):  -5.1225     alpha+bet : -8.9779

 Fermi energy:         3.1540874638

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8780      1.00000
      2      -9.9532      1.00000
      3      -8.6011      1.00000
      4      -6.7706      1.00000
      5      -4.3305      1.00000
      6      -1.5879      1.00000
      7       1.6280      1.00000
      8       4.6107     -0.00000
      9       5.3955     -0.00000
     10       7.9204     -0.00000
     11       7.9766     -0.00000
     12      11.8829      0.00000
     13      12.1795      0.00000
     14      16.0722      0.00000
     15      16.0758      0.00000
     16      16.0815      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4962      0.00000
     16      12.7601      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4962      0.00000
     16      12.7614      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4963      0.00000
     16      12.7779      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5941      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5946      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5963      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8112      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8108      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8104      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4139      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4138      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4138      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6225      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6220      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6230      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0348      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0347      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0368      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0359      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0347      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0349      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99216
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7016      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7016      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0339      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0427      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0432      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8310      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8357      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8298      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8559      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8490      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8613      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6786      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6791      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6792      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2317     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2320     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2360     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8566      1.00000
      2      -0.8539      1.00000
      3      -0.8269      1.00000
      4       0.0044      1.00000
      5       0.0964      1.00000
      6       0.1008      1.00000
      7       1.1135      1.00000
      8       1.1188      1.00000
      9       1.8029      1.00000
     10       2.6692      1.00152
     11       4.0846     -0.00000
     12       4.0856     -0.00000
     13       5.9840     -0.00000
     14       5.9892     -0.00000
     15       6.0742     -0.00000
     16       8.0146     -0.00000
 Fermi energy:         3.1540874638

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8780      1.00000
      2      -9.9532      1.00000
      3      -8.6011      1.00000
      4      -6.7706      1.00000
      5      -4.3305      1.00000
      6      -1.5879      1.00000
      7       1.6280      1.00000
      8       4.6107     -0.00000
      9       5.3955     -0.00000
     10       7.9204     -0.00000
     11       7.9766     -0.00000
     12      11.8829      0.00000
     13      12.1795      0.00000
     14      16.0727      0.00000
     15      16.0752      0.00000
     16      16.0820      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6696      1.00000
      2      -9.7441      1.00000
      3      -8.3910      1.00000
      4      -6.5588      1.00000
      5      -4.1146      1.00000
      6      -1.3778      1.00000
      7       1.8414      1.00000
      8       4.7938     -0.00000
      9       5.5699     -0.00000
     10       8.0884     -0.00000
     11       8.1418     -0.00000
     12      12.0132      0.00000
     13      12.2750      0.00000
     14      13.1348      0.00000
     15      13.8842      0.00000
     16      14.3358      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4963      0.00000
     16      12.7666      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4962      0.00000
     16      12.7603      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0441      1.00000
      2      -9.1166      1.00000
      3      -7.7602      1.00000
      4      -5.9233      1.00000
      5      -3.4679      1.00000
      6      -0.7487      1.00000
      7       2.4674      1.00001
      8       5.3264     -0.00000
      9       6.0879     -0.00000
     10       8.4736     -0.00000
     11       8.6174      0.00000
     12       9.7391      0.00000
     13      10.3033      0.00000
     14      11.3946      0.00000
     15      12.4963      0.00000
     16      12.7616      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5943      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5959      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0011      1.00000
      2      -8.0696      1.00000
      3      -6.7078      1.00000
      4      -4.8641      1.00000
      5      -2.3961      1.00000
      6       0.2890      1.00000
      7       3.4242     -0.03390
      8       5.6505     -0.00000
      9       6.5354     -0.00000
     10       6.8959     -0.00000
     11       7.0366     -0.00000
     12       8.0819     -0.00000
     13       9.3923      0.00000
     14       9.5714      0.00000
     15       9.7998      0.00000
     16      11.5949      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8107      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8111      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5385      1.00000
      2      -6.6008      1.00000
      3      -5.2322      1.00000
      4      -3.3850      1.00000
      5      -0.9299      1.00000
      6       1.5819      1.00000
      7       2.5558      1.00007
      8       3.5582     -0.00806
      9       4.8197     -0.00000
     10       5.1427     -0.00000
     11       6.5124     -0.00000
     12       7.6342     -0.00000
     13       8.1979     -0.00000
     14       8.7159      0.00000
     15      10.5081      0.00000
     16      10.8108      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4138      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4138      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6525      1.00000
      2      -4.7077      1.00000
      3      -3.3381      1.00000
      4      -1.5302      1.00000
      5      -0.6573      1.00000
      6       0.1491      1.00000
      7       1.1249      1.00000
      8       2.0325      1.00000
      9       3.6404     -0.00169
     10       3.7435     -0.00015
     11       5.9365     -0.00000
     12       6.7154     -0.00000
     13       8.2370     -0.00000
     14       9.1812      0.00000
     15       9.7370      0.00000
     16      10.4138      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3520      1.00000
      2      -3.3351      1.00000
      3      -2.4058      1.00000
      4      -2.4022      1.00000
      5      -1.2721      1.00000
      6      -0.8857      1.00000
      7       0.6281      1.00000
      8       1.3711      1.00000
      9       3.3869     -0.03453
     10       3.5325     -0.01220
     11       5.6744     -0.00000
     12       6.0208     -0.00000
     13       8.4150     -0.00000
     14       8.8658      0.00000
     15      10.2463      0.00000
     16      10.5348      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6224      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6217      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2526      1.00000
      2      -9.3258      1.00000
      3      -7.9705      1.00000
      4      -6.1352      1.00000
      5      -3.6833      1.00000
      6      -0.9581      1.00000
      7       2.2616      1.00000
      8       5.1533     -0.00000
      9       5.9166     -0.00000
     10       8.4135     -0.00000
     11       8.4508     -0.00000
     12      11.4381      0.00000
     13      11.4529      0.00000
     14      11.9071      0.00000
     15      12.0473      0.00000
     16      12.6362      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4185      1.00000
      2      -8.4886      1.00000
      3      -7.1290      1.00000
      4      -5.2878      1.00000
      5      -2.8236      1.00000
      6      -0.1231      1.00000
      7       3.0666      0.84344
      8       5.8083     -0.00000
      9       6.5857     -0.00000
     10       7.8647     -0.00000
     11       8.6202      0.00000
     12       8.9958      0.00000
     13       9.4147      0.00000
     14       9.8538      0.00000
     15      10.1916      0.00000
     16      10.7475      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0347      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0348      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0347      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0347      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0489      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1659      1.00000
      2      -7.2309      1.00000
      3      -5.8649      1.00000
      4      -4.0177      1.00000
      5      -1.5487      1.00000
      6       1.0953      1.00000
      7       3.8195     -0.00002
      8       4.6956     -0.00000
      9       5.4368     -0.00000
     10       6.5251     -0.00000
     11       7.0726     -0.00000
     12       7.6816     -0.00000
     13       8.1737     -0.00000
     14       8.9045      0.00000
     15       9.6267      0.00000
     16      10.0349      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4919      1.00000
      2      -5.5499      1.00000
      3      -4.1784      1.00000
      4      -2.3381      1.00000
      5       0.0224      1.00000
      6       1.0132      1.00000
      7       2.0051      1.00000
      8       2.9955      0.99215
      9       3.5396     -0.01082
     10       5.1857     -0.00000
     11       5.9094     -0.00000
     12       7.3326     -0.00000
     13       7.9878     -0.00000
     14       8.6427      0.00000
     15       9.0903      0.00000
     16       9.1491      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3933      1.00000
      2      -3.4476      1.00000
      3      -2.0945      1.00000
      4      -1.8819      1.00000
      5      -1.0077      1.00000
      6      -0.3596      1.00000
      7       0.6527      1.00000
      8       2.2838      1.00000
      9       2.6640      1.00126
     10       4.7436     -0.00000
     11       4.9013     -0.00000
     12       7.0303     -0.00000
     13       7.4967     -0.00000
     14       8.0263     -0.00000
     15       8.8716      0.00000
     16       9.7015      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0353      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0365      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3749      1.00000
      2      -7.4408      1.00000
      3      -6.0758      1.00000
      4      -4.2291      1.00000
      5      -1.7585      1.00000
      6       0.9033      1.00000
      7       3.9639     -0.00000
      8       6.0241     -0.00000
      9       6.5057     -0.00000
     10       7.2450     -0.00000
     11       7.3194     -0.00000
     12       7.5235     -0.00000
     13       7.5909     -0.00000
     14       8.3954     -0.00000
     15       8.7563      0.00000
     16      10.0364      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9115      1.00000
      2      -5.9711      1.00000
      3      -4.6001      1.00000
      4      -2.7532      1.00000
      5      -0.3097      1.00000
      6       2.1671      1.00000
      7       3.1449      0.58279
      8       4.1326     -0.00000
      9       5.0986     -0.00000
     10       5.3754     -0.00000
     11       5.9240     -0.00000
     12       6.5028     -0.00000
     13       7.0162     -0.00000
     14       7.7665     -0.00000
     15       8.3994     -0.00000
     16       8.7425      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8393      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8277      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8359      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8432      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8383      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0246      1.00000
      2      -4.0786      1.00000
      3      -2.7097      1.00000
      4      -0.9121      1.00000
      5      -0.0408      1.00000
      6       0.7512      1.00000
      7       1.7157      1.00000
      8       2.6044      1.00032
      9       4.0735     -0.00000
     10       4.2651     -0.00000
     11       4.8770     -0.00000
     12       5.7540     -0.00000
     13       6.6338     -0.00000
     14       7.4103     -0.00000
     15       7.5330     -0.00000
     16       8.8601      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7263      1.00000
      2      -2.7091      1.00000
      3      -1.7903      1.00000
      4      -1.7717      1.00000
      5      -0.6578      1.00000
      6      -0.2727      1.00000
      7       1.2286      1.00000
      8       1.9639      1.00000
      9       3.7824     -0.00005
     10       3.9065     -0.00000
     11       4.7344     -0.00000
     12       5.7753     -0.00000
     13       6.3926     -0.00000
     14       6.7633     -0.00000
     15       7.1412     -0.00000
     16       8.6693      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6787      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6786      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2352      1.00000
      2      -4.2895      1.00000
      3      -2.9178      1.00000
      4      -1.0952      1.00000
      5       1.1577      1.00000
      6       2.1136      1.00000
      7       2.2760      1.00000
      8       3.0121      0.97296
      9       3.4750     -0.02349
     10       4.2433     -0.00000
     11       4.4974     -0.00000
     12       4.8681     -0.00000
     13       6.2004     -0.00000
     14       6.8436     -0.00000
     15       7.2557     -0.00000
     16       8.6787      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39925
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2319     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2323     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39925
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2320     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1372      1.00000
      2      -2.1948      1.00000
      3      -0.8573      1.00000
      4      -0.6359      1.00000
      5       0.2152      1.00000
      6       0.8234      1.00000
      7       1.7679      1.00000
      8       1.8418      1.00000
      9       2.5864      1.00020
     10       3.1814      0.39924
     11       4.1358     -0.00000
     12       4.6673     -0.00000
     13       6.0487     -0.00000
     14       6.1489     -0.00000
     15       6.3652     -0.00000
     16       8.2320     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8566      1.00000
      2      -0.8539      1.00000
      3      -0.8269      1.00000
      4       0.0044      1.00000
      5       0.0964      1.00000
      6       0.1008      1.00000
      7       1.1135      1.00000
      8       1.1188      1.00000
      9       1.8029      1.00000
     10       2.6692      1.00152
     11       4.0846     -0.00000
     12       4.0856     -0.00000
     13       5.9840     -0.00000
     14       5.9892     -0.00000
     15       6.0742     -0.00000
     16       8.0149     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.941 -61.924   0.000  -0.148   0.000  -0.000  -0.011  -0.000
-61.924  33.074  -0.000   0.070  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.148   0.070   0.000   1.701  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.8328: real time    426.8835
    FORNL :  cpu time      0.4976: real time      0.5036
    FORCOR:  cpu time      1.9521: real time      1.9636
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.232E-05 0.360E-06 0.182E+03   0.402E-13 0.258E-13 -.181E+03   -.229E-05 -.102E-05 -.107E+01
   0.738E-06 0.128E-05 0.923E+02   0.451E-14 0.489E-14 -.922E+02   -.708E-06 -.108E-05 -.834E-01
   0.126E-05 -.487E-06 -.179E+00   -.145E-12 -.821E-13 0.166E+00   -.179E-05 0.113E-06 0.160E-01
   -.362E-06 0.409E-05 -.924E+02   0.139E-12 0.804E-13 0.923E+02   0.153E-06 -.442E-05 0.107E+00
   -.311E-05 0.481E-05 -.181E+03   -.482E-13 -.259E-13 0.180E+03   0.331E-05 -.506E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   -.291E-06 0.993E-05 -.977E-02   -.971E-14 0.313E-14 0.000E+00   -.132E-05 -.115E-04 -.762E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.019288
      0.00000      0.00000      2.36920        -0.000000      0.000000      0.002478
      1.42873      0.82488      4.68332        -0.000001     -0.000001      0.004653
      2.85746      1.64976      7.00049         0.000000      0.000000      0.005310
      0.00000      0.00000      9.37809         0.000000      0.000000      0.006846
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002     -0.000002     -0.010658


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438584 eV

  energy  without entropy=      -13.89782020  energy(sigma->0) =      -13.90219729
 
 d Force = 0.4970433E-05[ 0.443E-05, 0.551E-05]  d Energy = 0.1933877E-05 0.304E-05
 d Force = 0.2490526E-01[ 0.249E-01, 0.249E-01]  d Ewald  = 0.2490526E-01-0.813E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9562: real time      1.9678


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.496E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.8608
 eigenvalue spectrum of G is  1.0438  0.6779


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0059: real time      0.0844
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9567: real time      1.9683
    EDDIAG:  cpu time    587.7629: real time    592.6831
    CHARGE:  cpu time      0.2674: real time      0.2696
 writing wavefunctions
     LOOP+:  cpu time   5755.9524: real time   5804.8570


--------------------------------------- Iteration     49(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7293
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    587.7446: real time    592.7367
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    589.9813: real time    594.9880

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5353610E-03  (-0.1745022E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009827 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -698.80027669
  -exchange      EXHF   =        33.24778399
  -V(xc)+E(xc)   XCENC  =       -83.55503345
  PAW double counting   =    100985.31204169  -100884.35264941
  entropy T*S    EENTRO =        -0.00659631
  eigenvalues    EBANDS =       -35.82421008
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90385495 eV

  energy without entropy =      -13.89725865  energy(sigma->0) =      -13.90165619
  exchange ACFDT corr.  =        -0.00580157  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7304
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    586.8916: real time    591.9328
    CORREC:  cpu time      0.0041: real time      0.0041
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    589.1206: real time    594.1755

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2059548E-03  (-0.7088610E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009846 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.62335117
  -exchange      EXHF   =        33.24999030
  -V(xc)+E(xc)   XCENC  =       -83.55421891
  PAW double counting   =    100995.52440996  -100894.56509823
  entropy T*S    EENTRO =        -0.00661631
  eigenvalues    EBANDS =       -35.00420469
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406091 eV

  energy without entropy =      -13.89744460  energy(sigma->0) =      -13.90185547
  exchange ACFDT corr.  =        -0.00589861  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7288
    SETDIJ:  cpu time      1.2374: real time      1.2428
    TRIAL :  cpu time    586.2206: real time    591.2774
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    588.4532: real time    593.5238

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2038723E-03  (-0.2070608E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009858 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.82134607
  -exchange      EXHF   =        33.25060068
  -V(xc)+E(xc)   XCENC  =       -83.55398912
  PAW double counting   =    100997.26727957  -100896.30796262
  entropy T*S    EENTRO =        -0.00658653
  eigenvalues    EBANDS =       -34.80723906
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426478 eV

  energy without entropy =      -13.89767825  energy(sigma->0) =      -13.90206927
  exchange ACFDT corr.  =        -0.00587121  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2301: real time      1.2358
    TRIAL :  cpu time    585.1617: real time    590.2565
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2671: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time    587.3851: real time    592.4940

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9414727E-04  (-0.1553545E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009864 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.44890825
  -exchange      EXHF   =        33.24968173
  -V(xc)+E(xc)   XCENC  =       -83.55432492
  PAW double counting   =    100992.07350465  -100891.11417857
  entropy T*S    EENTRO =        -0.00657055
  eigenvalues    EBANDS =       -35.17855518
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435893 eV

  energy without entropy =      -13.89778838  energy(sigma->0) =      -13.90216875
  exchange ACFDT corr.  =        -0.00584865  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7294
    SETDIJ:  cpu time      1.2304: real time      1.2362
    TRIAL :  cpu time    585.7642: real time    590.8413
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    587.9916: real time    593.0828

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3132006E-04  (-0.1404437E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009863 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.25749134
  -exchange      EXHF   =        33.24923084
  -V(xc)+E(xc)   XCENC  =       -83.55448633
  PAW double counting   =    100989.71939878  -100888.76007699
  entropy T*S    EENTRO =        -0.00658372
  eigenvalues    EBANDS =       -35.36934017
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432761 eV

  energy without entropy =      -13.89774389  energy(sigma->0) =      -13.90213304
  exchange ACFDT corr.  =        -0.00583727  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2280: real time      1.2338
    TRIAL :  cpu time    588.4664: real time    593.5115
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    590.6890: real time    595.7483

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6759755E-04  (-0.8108521E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009859 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.40512095
  -exchange      EXHF   =        33.24965668
  -V(xc)+E(xc)   XCENC  =       -83.55432472
  PAW double counting   =    100992.04049806  -100891.08118800
  entropy T*S    EENTRO =        -0.00659570
  eigenvalues    EBANDS =       -35.22234071
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439521 eV

  energy without entropy =      -13.89779950  energy(sigma->0) =      -13.90219664
  exchange ACFDT corr.  =        -0.00584698  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2289: real time      1.2343
    TRIAL :  cpu time    588.5636: real time    593.6255
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2674: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    590.7870: real time    595.8633

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8967167E-05  (-0.3060410E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009856 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.54548928
  -exchange      EXHF   =        33.25003218
  -V(xc)+E(xc)   XCENC  =       -83.55418284
  PAW double counting   =    100994.39763893  -100893.43833974
  entropy T*S    EENTRO =        -0.00659201
  eigenvalues    EBANDS =       -35.08245795
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438624 eV

  energy without entropy =      -13.89779423  energy(sigma->0) =      -13.90218890
  exchange ACFDT corr.  =        -0.00585584  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2299: real time      1.2351
    TRIAL :  cpu time    588.3329: real time    593.4186
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2681: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    590.5575: real time    595.6569

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5723836E-05  (-0.1811792E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009854 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.50497492
  -exchange      EXHF   =        33.24990882
  -V(xc)+E(xc)   XCENC  =       -83.55422665
  PAW double counting   =    100994.32911844  -100893.36980185
  entropy T*S    EENTRO =        -0.00658447
  eigenvalues    EBANDS =       -35.12283195
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439196 eV

  energy without entropy =      -13.89780750  energy(sigma->0) =      -13.90219714
  exchange ACFDT corr.  =        -0.00585301  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     49(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    589.9132: real time    594.9907
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    587.8760: real time    592.8139
    CHARGE:  cpu time      0.2673: real time      0.2694
    --------------------------------------------
      LOOP:  cpu time   1180.0145: real time   1190.0436

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6329297E-05  ( 0.2473862E-06)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009852 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.49362390
  -Hartree energ DENC   =      -699.42083038
  -exchange      EXHF   =        33.24964653
  -V(xc)+E(xc)   XCENC  =       -83.55431781
  PAW double counting   =    100993.64482845  -100892.68549664
  entropy T*S    EENTRO =        -0.00658420
  eigenvalues    EBANDS =       -35.20666728
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439829 eV

  energy without entropy =      -13.89781410  energy(sigma->0) =      -13.90220356
  exchange ACFDT corr.  =        -0.00584733  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9997


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8960       2 -69.7793       3 -69.7762       4 -69.7801       5 -69.8961
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1227     alpha+bet : -8.9779

 Fermi energy:         3.1545357349

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8947      1.00000
      2      -9.9589      1.00000
      3      -8.6060      1.00000
      4      -6.7768      1.00000
      5      -4.3361      1.00000
      6      -1.5930      1.00000
      7       1.6238      1.00000
      8       4.6105     -0.00000
      9       5.4052     -0.00000
     10       7.9256     -0.00000
     11       7.9792     -0.00000
     12      11.8855      0.00000
     13      12.1811      0.00000
     14      16.0539      0.00000
     15      16.0585      0.00000
     16      16.0658      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4974      0.00000
     16      12.7563      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4974      0.00000
     16      12.7578      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4975      0.00000
     16      12.7720      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5877      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5881      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5896      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8126      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8125      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8125      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3969      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3968      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3968      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6208      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6216      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0314      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0313      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0330      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0323      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0313      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0315      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0345      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0450      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0459      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8230      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8278      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8218      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8494      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8421      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8553      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6755      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6759      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6760      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2272     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2275     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2274     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2273     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39994
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2274     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39994
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2309     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8734      1.00000
      2      -0.8713      1.00000
      3      -0.8433      1.00000
      4      -0.0046      1.00000
      5       0.0926      1.00000
      6       0.0960      1.00000
      7       1.1071      1.00000
      8       1.1113      1.00000
      9       1.8013      1.00000
     10       2.6657      1.00151
     11       4.0785     -0.00000
     12       4.0796     -0.00000
     13       5.9803     -0.00000
     14       5.9857     -0.00000
     15       6.0644     -0.00000
     16       8.0111     -0.00000
 Fermi energy:         3.1545357349

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8947      1.00000
      2      -9.9589      1.00000
      3      -8.6060      1.00000
      4      -6.7768      1.00000
      5      -4.3361      1.00000
      6      -1.5930      1.00000
      7       1.6238      1.00000
      8       4.6105     -0.00000
      9       5.4052     -0.00000
     10       7.9256     -0.00000
     11       7.9792     -0.00000
     12      11.8855      0.00000
     13      12.1811      0.00000
     14      16.0543      0.00000
     15      16.0574      0.00000
     16      16.0661      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6862      1.00000
      2      -9.7498      1.00000
      3      -8.3958      1.00000
      4      -6.5650      1.00000
      5      -4.1202      1.00000
      6      -1.3829      1.00000
      7       1.8373      1.00000
      8       4.7935     -0.00000
      9       5.5796     -0.00000
     10       8.0935     -0.00000
     11       8.1444     -0.00000
     12      12.0154      0.00000
     13      12.2761      0.00000
     14      13.1184      0.00000
     15      13.8782      0.00000
     16      14.3188      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4975      0.00000
     16      12.7628      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4974      0.00000
     16      12.7565      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0608      1.00000
      2      -9.1222      1.00000
      3      -7.7650      1.00000
      4      -5.9295      1.00000
      5      -3.4735      1.00000
      6      -0.7539      1.00000
      7       2.4633      1.00001
      8       5.3262     -0.00000
      9       6.0975     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7242      0.00000
     13      10.2982      0.00000
     14      11.3902      0.00000
     15      12.4974      0.00000
     16      12.7582      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5878      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5893      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0178      1.00000
      2      -8.0753      1.00000
      3      -6.7126      1.00000
      4      -4.8704      1.00000
      5      -2.4018      1.00000
      6       0.2837      1.00000
      7       3.4197     -0.03393
      8       5.6413     -0.00000
      9       6.5325     -0.00000
     10       6.8892     -0.00000
     11       7.0435     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5706      0.00000
     15       9.7985      0.00000
     16      11.5883      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8127      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8133      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5552      1.00000
      2      -6.6065      1.00000
      3      -5.2370      1.00000
      4      -3.3913      1.00000
      5      -0.9357      1.00000
      6       1.5747      1.00000
      7       2.5422      1.00007
      8       3.5533     -0.00796
      9       4.8167     -0.00000
     10       5.1359     -0.00000
     11       6.5062     -0.00000
     12       7.6338     -0.00000
     13       8.2073     -0.00000
     14       8.7102      0.00000
     15      10.5107      0.00000
     16      10.8129      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3968      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3968      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6692      1.00000
      2      -4.7135      1.00000
      3      -3.3430      1.00000
      4      -1.5367      1.00000
      5      -0.6745      1.00000
      6       0.1433      1.00000
      7       1.1209      1.00000
      8       2.0279      1.00000
      9       3.6355     -0.00171
     10       3.7363     -0.00015
     11       5.9310     -0.00000
     12       6.7113     -0.00000
     13       8.2319     -0.00000
     14       9.1808      0.00000
     15       9.7463      0.00000
     16      10.3968      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3689      1.00000
      2      -3.3519      1.00000
      3      -2.4103      1.00000
      4      -2.4095      1.00000
      5      -1.2783      1.00000
      6      -0.8895      1.00000
      7       0.6230      1.00000
      8       1.3648      1.00000
      9       3.3835     -0.03448
     10       3.5244     -0.01221
     11       5.6701     -0.00000
     12       6.0152     -0.00000
     13       8.4111     -0.00000
     14       8.8615      0.00000
     15      10.2293      0.00000
     16      10.5307      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6206      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2693      1.00000
      2      -9.3315      1.00000
      3      -7.9753      1.00000
      4      -6.1414      1.00000
      5      -3.6888      1.00000
      6      -0.9633      1.00000
      7       2.2575      1.00000
      8       5.1531     -0.00000
      9       5.9263     -0.00000
     10       8.4184     -0.00000
     11       8.4531     -0.00000
     12      11.4210      0.00000
     13      11.4383      0.00000
     14      11.9026      0.00000
     15      12.0445      0.00000
     16      12.6340      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4352      1.00000
      2      -8.4943      1.00000
      3      -7.1338      1.00000
      4      -5.2940      1.00000
      5      -2.8292      1.00000
      6      -0.1283      1.00000
      7       3.0624      0.84434
      8       5.8076     -0.00000
      9       6.5947     -0.00000
     10       7.8528     -0.00000
     11       8.6135      0.00000
     12       8.9976      0.00000
     13       9.4148      0.00000
     14       9.8497      0.00000
     15      10.1778      0.00000
     16      10.7417      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0313      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0314      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0313      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0313      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0435      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1826      1.00000
      2      -7.2366      1.00000
      3      -5.8698      1.00000
      4      -4.0241      1.00000
      5      -1.5544      1.00000
      6       1.0899      1.00000
      7       3.8095     -0.00002
      8       4.6873     -0.00000
      9       5.4308     -0.00000
     10       6.5189     -0.00000
     11       7.0719     -0.00000
     12       7.6907     -0.00000
     13       8.1677     -0.00000
     14       8.8917      0.00000
     15       9.6201      0.00000
     16      10.0315      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5086      1.00000
      2      -5.5556      1.00000
      3      -4.1833      1.00000
      4      -2.3446      1.00000
      5       0.0154      1.00000
      6       0.9980      1.00000
      7       1.9999      1.00000
      8       2.9918      0.99214
      9       3.5337     -0.01075
     10       5.1790     -0.00000
     11       5.9049     -0.00000
     12       7.3254     -0.00000
     13       7.9797     -0.00000
     14       8.6387      0.00000
     15       9.0984      0.00000
     16       9.1425      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4100      1.00000
      2      -3.4534      1.00000
      3      -2.0997      1.00000
      4      -1.8984      1.00000
      5      -1.0145      1.00000
      6      -0.3651      1.00000
      7       0.6485      1.00000
      8       2.2800      1.00000
      9       2.6561      1.00126
     10       4.7378     -0.00000
     11       4.8960     -0.00000
     12       7.0230     -0.00000
     13       7.4894     -0.00000
     14       8.0191     -0.00000
     15       8.8655      0.00000
     16       9.6984      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0359      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0376      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3916      1.00000
      2      -7.4465      1.00000
      3      -6.0807      1.00000
      4      -4.2354      1.00000
      5      -1.7641      1.00000
      6       0.8981      1.00000
      7       3.9592     -0.00000
      8       6.0142     -0.00000
      9       6.4943     -0.00000
     10       7.2393     -0.00000
     11       7.3098     -0.00000
     12       7.5207     -0.00000
     13       7.5972     -0.00000
     14       8.3914     -0.00000
     15       8.7506      0.00000
     16      10.0374      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9282      1.00000
      2      -5.9769      1.00000
      3      -4.6049      1.00000
      4      -2.7596      1.00000
      5      -0.3156      1.00000
      6       2.1598      1.00000
      7       3.1312      0.58156
      8       4.1276     -0.00000
      9       5.0872     -0.00000
     10       5.3701     -0.00000
     11       5.9169     -0.00000
     12       6.4970     -0.00000
     13       7.0098     -0.00000
     14       7.7616     -0.00000
     15       8.3986     -0.00000
     16       8.7513      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8317      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8195      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8280      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8357      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8306      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0413      1.00000
      2      -4.0843      1.00000
      3      -2.7146      1.00000
      4      -0.9186      1.00000
      5      -0.0580      1.00000
      6       0.7453      1.00000
      7       1.7115      1.00000
      8       2.5996      1.00032
      9       4.0690     -0.00000
     10       4.2552     -0.00000
     11       4.8635     -0.00000
     12       5.7489     -0.00000
     13       6.6315     -0.00000
     14       7.4060     -0.00000
     15       7.5263     -0.00000
     16       8.8540      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7432      1.00000
      2      -2.7258      1.00000
      3      -1.7976      1.00000
      4      -1.7762      1.00000
      5      -0.6640      1.00000
      6      -0.2767      1.00000
      7       1.2234      1.00000
      8       1.9578      1.00000
      9       3.7784     -0.00005
     10       3.8945     -0.00000
     11       4.7222     -0.00000
     12       5.7716     -0.00000
     13       6.3903     -0.00000
     14       6.7576     -0.00000
     15       7.1351     -0.00000
     16       8.6625      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6756      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6755      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2519      1.00000
      2      -4.2952      1.00000
      3      -2.9227      1.00000
      4      -1.1017      1.00000
      5       1.1501      1.00000
      6       2.0968      1.00000
      7       2.2617      1.00000
      8       3.0053      0.97188
      9       3.4727     -0.02331
     10       4.2396     -0.00000
     11       4.4901     -0.00000
     12       4.8634     -0.00000
     13       6.1956     -0.00000
     14       6.8370     -0.00000
     15       7.2510     -0.00000
     16       8.6756      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2273     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39994
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2274     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2274     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2277     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39994
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2274     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1540      1.00000
      2      -2.2007      1.00000
      3      -0.8628      1.00000
      4      -0.6521      1.00000
      5       0.2083      1.00000
      6       0.8176      1.00000
      7       1.7532      1.00000
      8       1.8343      1.00000
      9       2.5817      1.00020
     10       3.1773      0.39993
     11       4.1292     -0.00000
     12       4.6637     -0.00000
     13       6.0463     -0.00000
     14       6.1418     -0.00000
     15       6.3578     -0.00000
     16       8.2275     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8734      1.00000
      2      -0.8713      1.00000
      3      -0.8433      1.00000
      4      -0.0046      1.00000
      5       0.0926      1.00000
      6       0.0960      1.00000
      7       1.1071      1.00000
      8       1.1113      1.00000
      9       1.8013      1.00000
     10       2.6657      1.00151
     11       4.0785     -0.00000
     12       4.0796     -0.00000
     13       5.9803     -0.00000
     14       5.9857     -0.00000
     15       6.0644     -0.00000
     16       8.0115     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.925   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.925  33.074  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.150   0.071   0.000   1.700   0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.3452: real time    427.3921
    FORNL :  cpu time      0.4988: real time      0.5049
    FORCOR:  cpu time      1.9530: real time      1.9645
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.183E-05 0.986E-06 0.182E+03   0.382E-13 0.252E-13 -.181E+03   -.192E-05 -.125E-05 -.107E+01
   0.241E-05 0.431E-06 0.923E+02   0.746E-14 0.244E-14 -.922E+02   -.281E-05 -.390E-06 -.866E-01
   0.156E-05 0.454E-06 -.166E+00   -.144E-12 -.813E-13 0.165E+00   -.205E-05 -.503E-06 0.161E-01
   0.827E-07 0.181E-05 -.924E+02   0.128E-12 0.834E-13 0.923E+02   0.695E-07 -.229E-05 0.109E+00
   -.134E-05 0.285E-05 -.181E+03   -.393E-13 -.266E-13 0.180E+03   0.117E-05 -.267E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.472E-05 0.681E-05 0.162E-01   -.971E-14 0.313E-14 0.284E-13   -.555E-05 -.711E-05 -.128E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.037134
      0.00000      0.00000      2.36971        -0.000000     -0.000000     -0.013017
      1.42873      0.82488      4.68362        -0.000001     -0.000000      0.011547
      2.85746      1.64976      7.00062         0.000000     -0.000000      0.026778
      0.00000      0.00000      9.37861         0.000001      0.000001      0.011827
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000      0.014776


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439829 eV

  energy  without entropy=      -13.89781410  energy(sigma->0) =      -13.90220356
 
 d Force = 0.6697942E-05[ 0.648E-05, 0.692E-05]  d Energy = 0.1245353E-04-0.576E-05
 d Force = 0.5883685E-01[ 0.588E-01, 0.588E-01]  d Ewald  = 0.5883685E-01-0.740E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9535: real time      1.9652


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.559E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.6185
 eigenvalue spectrum of G is  0.9881  0.2490


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.1024
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0852
    POTLOK:  cpu time      1.9540: real time      1.9666
    EDDIAG:  cpu time    585.1744: real time    590.1027
    CHARGE:  cpu time      0.2680: real time      0.2702
 writing wavefunctions
     LOOP+:  cpu time   6912.1600: real time   6971.0043


--------------------------------------- Iteration     50(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7297
    SETDIJ:  cpu time      1.2301: real time      1.2354
    TRIAL :  cpu time    587.6684: real time    592.6619
    CORREC:  cpu time      0.0041: real time      0.0042
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    589.9047: real time    594.9125

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8779279E-03  (-0.3545382E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009841 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.95563538
  -exchange      EXHF   =        33.25149979
  -V(xc)+E(xc)   XCENC  =       -83.55362223
  PAW double counting   =    101000.95350779  -100899.99422592
  entropy T*S    EENTRO =        -0.00655719
  eigenvalues    EBANDS =       -34.72188031
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90351404 eV

  energy without entropy =      -13.89695684  energy(sigma->0) =      -13.90132830
  exchange ACFDT corr.  =        -0.00587057  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2302: real time      1.2356
    TRIAL :  cpu time    587.3239: real time    592.3461
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    589.5493: real time    594.5851

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1624757E-03  (-0.2527099E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009829 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.37650675
  -exchange      EXHF   =        33.24990438
  -V(xc)+E(xc)   XCENC  =       -83.55421505
  PAW double counting   =    100993.92114791  -100892.96182569
  entropy T*S    EENTRO =        -0.00654420
  eigenvalues    EBANDS =       -35.29874967
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90335156 eV

  energy without entropy =      -13.89680736  energy(sigma->0) =      -13.90117016
  exchange ACFDT corr.  =        -0.00583240  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2302: real time      1.2355
    TRIAL :  cpu time    586.4846: real time    591.4453
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    588.7102: real time    593.6846

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9249527E-03  (-0.5326396E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009821 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.24053321
  -exchange      EXHF   =        33.24950891
  -V(xc)+E(xc)   XCENC  =       -83.55436414
  PAW double counting   =    100993.23684756  -100892.27752286
  entropy T*S    EENTRO =        -0.00656518
  eigenvalues    EBANDS =       -35.43511908
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427651 eV

  energy without entropy =      -13.89771134  energy(sigma->0) =      -13.90208812
  exchange ACFDT corr.  =        -0.00582340  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7211: real time      0.7272
    SETDIJ:  cpu time      1.2357: real time      1.2411
    TRIAL :  cpu time    590.4610: real time    595.5317
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2673: real time      0.2695
    --------------------------------------------
      LOOP:  cpu time    592.6899: real time    597.7743

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1267555E-04  (-0.5245051E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009816 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.50077515
  -exchange      EXHF   =        33.25015016
  -V(xc)+E(xc)   XCENC  =       -83.55413321
  PAW double counting   =    100997.26010263  -100896.30078761
  entropy T*S    EENTRO =        -0.00657585
  eigenvalues    EBANDS =       -35.17570598
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90426384 eV

  energy without entropy =      -13.89768799  energy(sigma->0) =      -13.90207189
  exchange ACFDT corr.  =        -0.00583899  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7295
    SETDIJ:  cpu time      1.2314: real time      1.2371
    TRIAL :  cpu time    584.2227: real time    589.2079
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2676: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    586.4499: real time    591.4498

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2317285E-04  (-0.3454332E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009812 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.63321783
  -exchange      EXHF   =        33.25047914
  -V(xc)+E(xc)   XCENC  =       -83.55401629
  PAW double counting   =    100999.25957313  -100898.30027040
  entropy T*S    EENTRO =        -0.00656757
  eigenvalues    EBANDS =       -35.04366306
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90424066 eV

  energy without entropy =      -13.89767309  energy(sigma->0) =      -13.90205147
  exchange ACFDT corr.  =        -0.00584706  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7238: real time      0.7299
    SETDIJ:  cpu time      1.2299: real time      1.2353
    TRIAL :  cpu time    590.8915: real time    595.9240
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2681: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    593.1175: real time    598.1642

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1474927E-03  ( 0.5413938E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009808 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.53412232
  -exchange      EXHF   =        33.25021720
  -V(xc)+E(xc)   XCENC  =       -83.55411432
  PAW double counting   =    100998.30529095  -100897.34596172
  entropy T*S    EENTRO =        -0.00655945
  eigenvalues    EBANDS =       -35.14258089
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438816 eV

  energy without entropy =      -13.89782871  energy(sigma->0) =      -13.90220167
  exchange ACFDT corr.  =        -0.00584084  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7303
    SETDIJ:  cpu time      1.2321: real time      1.2379
    TRIAL :  cpu time    584.7691: real time    589.7939
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2672: real time      0.2695
    --------------------------------------------
      LOOP:  cpu time    586.9972: real time    592.0363

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2000254E-04  (-0.8771587E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009807 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.43735650
  -exchange      EXHF   =        33.24996956
  -V(xc)+E(xc)   XCENC  =       -83.55420624
  PAW double counting   =    100997.35907665  -100896.39973900
  entropy T*S    EENTRO =        -0.00656215
  eigenvalues    EBANDS =       -35.23900368
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436815 eV

  energy without entropy =      -13.89780600  energy(sigma->0) =      -13.90218077
  exchange ACFDT corr.  =        -0.00583482  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7294
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    591.3167: real time    596.3630
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2671: real time      0.2693
    --------------------------------------------
      LOOP:  cpu time    593.5432: real time    598.6032

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6506700E-05  (-0.4266203E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009806 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.46346265
  -exchange      EXHF   =        33.25005702
  -V(xc)+E(xc)   XCENC  =       -83.55417379
  PAW double counting   =    100997.93179556  -100896.97247097
  entropy T*S    EENTRO =        -0.00656769
  eigenvalues    EBANDS =       -35.21300819
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437466 eV

  energy without entropy =      -13.89780697  energy(sigma->0) =      -13.90218543
  exchange ACFDT corr.  =        -0.00583680  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2317: real time      1.2375
    TRIAL :  cpu time    587.3523: real time    592.3644
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    589.5806: real time    594.6068

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1842022E-04  ( 0.1217364E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009804 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.52249022
  -exchange      EXHF   =        33.25023183
  -V(xc)+E(xc)   XCENC  =       -83.55410863
  PAW double counting   =    100998.97172339  -100898.01239673
  entropy T*S    EENTRO =        -0.00656806
  eigenvalues    EBANDS =       -35.15423554
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439308 eV

  energy without entropy =      -13.89782502  energy(sigma->0) =      -13.90220373
  exchange ACFDT corr.  =        -0.00584085  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2319: real time      1.2374
    TRIAL :  cpu time    590.8628: real time    595.8635
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2675: real time      0.2697
    --------------------------------------------
      LOOP:  cpu time    593.0894: real time    598.1040

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3534078E-05  (-0.1437498E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009800 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.52393862
  -exchange      EXHF   =        33.25024470
  -V(xc)+E(xc)   XCENC  =       -83.55410343
  PAW double counting   =    100999.27530125  -100898.31597625
  entropy T*S    EENTRO =        -0.00656560
  eigenvalues    EBANDS =       -35.15279964
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438955 eV

  energy without entropy =      -13.89782395  energy(sigma->0) =      -13.90220101
  exchange ACFDT corr.  =        -0.00584111  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     50(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2312: real time      1.2367
    TRIAL :  cpu time    589.8617: real time    594.8877
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    586.0006: real time    590.9479
    CHARGE:  cpu time      0.2673: real time      0.2696
    --------------------------------------------
      LOOP:  cpu time   1178.0878: real time   1188.0748

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1890177E-05  (-0.4521429E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009798 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.54206626
  -Hartree energ DENC   =      -699.49378852
  -exchange      EXHF   =        33.25014354
  -V(xc)+E(xc)   XCENC  =       -83.55413292
  PAW double counting   =    100999.14792216  -100898.18859868
  entropy T*S    EENTRO =        -0.00656502
  eigenvalues    EBANDS =       -35.18284278
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439144 eV

  energy without entropy =      -13.89782642  energy(sigma->0) =      -13.90220310
  exchange ACFDT corr.  =        -0.00583927  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9824


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9066       2 -69.7828       3 -69.7704       4 -69.7703       5 -69.8888
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1226     alpha+bet : -8.9779

 Fermi energy:         3.1544299534

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9582      1.00000
      3      -8.6052      1.00000
      4      -6.7752      1.00000
      5      -4.3349      1.00000
      6      -1.5919      1.00000
      7       1.6248      1.00000
      8       4.6109     -0.00000
      9       5.4033     -0.00000
     10       7.9245     -0.00000
     11       7.9789     -0.00000
     12      11.8851      0.00000
     13      12.1808      0.00000
     14      16.0578      0.00000
     15      16.0621      0.00000
     16      16.0691      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3950      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3950      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3950      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7584      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7717      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5891      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5895      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5908      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8123      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8122      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8121      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4004      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4004      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6214      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6209      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6220      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0322      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0321      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0333      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0328      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0321      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0322      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0344      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0442      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0453      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58207
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58207
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58207
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8245      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8295      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8235      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8498      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8424      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8553      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6762      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6766      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6767      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39949
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2282     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2284     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39949
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39949
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39949
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39949
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2310     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8705      1.00000
      2      -0.8670      1.00000
      3      -0.8398      1.00000
      4      -0.0029      1.00000
      5       0.0917      1.00000
      6       0.0975      1.00000
      7       1.1064      1.00000
      8       1.1145      1.00000
      9       1.8014      1.00000
     10       2.6666      1.00152
     11       4.0776     -0.00000
     12       4.0835     -0.00000
     13       5.9817     -0.00000
     14       5.9860     -0.00000
     15       6.0665     -0.00000
     16       8.0120     -0.00000
 Fermi energy:         3.1544299534

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8912      1.00000
      2      -9.9582      1.00000
      3      -8.6052      1.00000
      4      -6.7752      1.00000
      5      -4.3349      1.00000
      6      -1.5919      1.00000
      7       1.6248      1.00000
      8       4.6109     -0.00000
      9       5.4033     -0.00000
     10       7.9245     -0.00000
     11       7.9789     -0.00000
     12      11.8851      0.00000
     13      12.1808      0.00000
     14      16.0581      0.00000
     15      16.0613      0.00000
     16      16.0693      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3951      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3951      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6827      1.00000
      2      -9.7491      1.00000
      3      -8.3951      1.00000
      4      -6.5634      1.00000
      5      -4.1189      1.00000
      6      -1.3818      1.00000
      7       1.8383      1.00000
      8       4.7939     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1440     -0.00000
     12      12.0151      0.00000
     13      12.2759      0.00000
     14      13.1219      0.00000
     15      13.8791      0.00000
     16      14.3224      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7629      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7574      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0573      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9280      1.00000
      5      -3.4722      1.00000
      6      -0.7527      1.00000
      7       2.4643      1.00001
      8       5.3265     -0.00000
      9       6.0956     -0.00000
     10       8.4750     -0.00000
     11       8.6205      0.00000
     12       9.7273      0.00000
     13      10.2988      0.00000
     14      11.3909      0.00000
     15      12.4973      0.00000
     16      12.7587      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5892      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5905      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0746      1.00000
      3      -6.7119      1.00000
      4      -4.8688      1.00000
      5      -2.4005      1.00000
      6       0.2849      1.00000
      7       3.4207     -0.03392
      8       5.6433     -0.00000
      9       6.5332     -0.00000
     10       6.8902     -0.00000
     11       7.0422     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5709      0.00000
     15       9.7989      0.00000
     16      11.5897      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8123      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8128      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6058      1.00000
      3      -5.2363      1.00000
      4      -3.3897      1.00000
      5      -0.9344      1.00000
      6       1.5762      1.00000
      7       2.5451      1.00007
      8       3.5538     -0.00804
      9       4.8170     -0.00000
     10       5.1375     -0.00000
     11       6.5078     -0.00000
     12       7.6342     -0.00000
     13       8.2054     -0.00000
     14       8.7115      0.00000
     15      10.5102      0.00000
     16      10.8124      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4004      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4004      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6657      1.00000
      2      -4.7128      1.00000
      3      -3.3422      1.00000
      4      -1.5351      1.00000
      5      -0.6708      1.00000
      6       0.1441      1.00000
      7       1.1216      1.00000
      8       2.0287      1.00000
      9       3.6367     -0.00170
     10       3.7379     -0.00015
     11       5.9323     -0.00000
     12       6.7123     -0.00000
     13       8.2330     -0.00000
     14       9.1812      0.00000
     15       9.7444      0.00000
     16      10.4004      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3654      1.00000
      2      -3.3483      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2773      1.00000
      6      -0.8890      1.00000
      7       0.6243      1.00000
      8       1.3664      1.00000
      9       3.3843     -0.03452
     10       3.5261     -0.01221
     11       5.6711     -0.00000
     12       6.0164     -0.00000
     13       8.4120     -0.00000
     14       8.8625      0.00000
     15      10.2329      0.00000
     16      10.5317      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6215      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6208      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2658      1.00000
      2      -9.3308      1.00000
      3      -7.9746      1.00000
      4      -6.1398      1.00000
      5      -3.6876      1.00000
      6      -0.9622      1.00000
      7       2.2584      1.00000
      8       5.1535     -0.00000
      9       5.9244     -0.00000
     10       8.4174     -0.00000
     11       8.4528     -0.00000
     12      11.4246      0.00000
     13      11.4414      0.00000
     14      11.9033      0.00000
     15      12.0446      0.00000
     16      12.6319      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4317      1.00000
      2      -8.4936      1.00000
      3      -7.1331      1.00000
      4      -5.2924      1.00000
      5      -2.8279      1.00000
      6      -0.1271      1.00000
      7       3.0634      0.84397
      8       5.8080     -0.00000
      9       6.5929     -0.00000
     10       7.8553     -0.00000
     11       8.6145      0.00000
     12       8.9973      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1807      0.00000
     16      10.7426      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0321      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0322      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0321      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0321      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0408      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0225      1.00000
      5      -1.5531      1.00000
      6       1.0911      1.00000
      7       3.8117     -0.00002
      8       4.6890     -0.00000
      9       5.4317     -0.00000
     10       6.5200     -0.00000
     11       7.0723     -0.00000
     12       7.6889     -0.00000
     13       8.1691     -0.00000
     14       8.8944      0.00000
     15       9.6211      0.00000
     16      10.0323      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5051      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3429      1.00000
      5       0.0170      1.00000
      6       1.0012      1.00000
      7       2.0006      1.00000
      8       2.9925      0.99223
      9       3.5347     -0.01080
     10       5.1806     -0.00000
     11       5.9059     -0.00000
     12       7.3270     -0.00000
     13       7.9814     -0.00000
     14       8.6398      0.00000
     15       9.0967      0.00000
     16       9.1436      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4065      1.00000
      2      -3.4527      1.00000
      3      -2.0989      1.00000
      4      -1.8950      1.00000
      5      -1.0135      1.00000
      6      -0.3639      1.00000
      7       0.6492      1.00000
      8       2.2810      1.00000
      9       2.6579      1.00126
     10       4.7390     -0.00000
     11       4.8973     -0.00000
     12       7.0246     -0.00000
     13       7.4909     -0.00000
     14       8.0206     -0.00000
     15       8.8664      0.00000
     16       9.6991      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0356      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0375      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2338      1.00000
      5      -1.7629      1.00000
      6       0.8992      1.00000
      7       3.9603     -0.00000
      8       6.0164     -0.00000
      9       6.4966     -0.00000
     10       7.2404     -0.00000
     11       7.3119     -0.00000
     12       7.5207     -0.00000
     13       7.5959     -0.00000
     14       8.3920     -0.00000
     15       8.7517      0.00000
     16      10.0372      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7580      1.00000
      5      -0.3143      1.00000
      6       2.1614      1.00000
      7       3.1341      0.58206
      8       4.1282     -0.00000
      9       5.0896     -0.00000
     10       5.3710     -0.00000
     11       5.9182     -0.00000
     12       6.4980     -0.00000
     13       7.0112     -0.00000
     14       7.7626     -0.00000
     15       8.3990     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8328      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8213      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8297      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8371      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8320      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0378      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9170      1.00000
      5      -0.0544      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0699     -0.00000
     10       4.2575     -0.00000
     11       4.8664     -0.00000
     12       5.7496     -0.00000
     13       6.6319     -0.00000
     14       7.4067     -0.00000
     15       7.5278     -0.00000
     16       8.8541      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7397      1.00000
      2      -2.7223      1.00000
      3      -1.7964      1.00000
      4      -1.7759      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2247      1.00000
      8       1.9594      1.00000
      9       3.7792     -0.00005
     10       3.8973     -0.00000
     11       4.7247     -0.00000
     12       5.7720     -0.00000
     13       6.3908     -0.00000
     14       6.7587     -0.00000
     15       7.1362     -0.00000
     16       8.6642      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6763      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6762      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2484      1.00000
      2      -4.2945      1.00000
      3      -2.9220      1.00000
      4      -1.1001      1.00000
      5       1.1517      1.00000
      6       2.1003      1.00000
      7       2.2647      1.00000
      8       3.0064      0.97264
      9       3.4726     -0.02346
     10       4.2402     -0.00000
     11       4.4915     -0.00000
     12       4.8642     -0.00000
     13       6.1968     -0.00000
     14       6.8386     -0.00000
     15       7.2522     -0.00000
     16       8.6763      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2286     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2283     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6488      1.00000
      5       0.2094      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8358      1.00000
      9       2.5822      1.00020
     10       3.1782      0.39950
     11       4.1307     -0.00000
     12       4.6643     -0.00000
     13       6.0469     -0.00000
     14       6.1434     -0.00000
     15       6.3595     -0.00000
     16       8.2284     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8705      1.00000
      2      -0.8670      1.00000
      3      -0.8398      1.00000
      4      -0.0029      1.00000
      5       0.0917      1.00000
      6       0.0975      1.00000
      7       1.1064      1.00000
      8       1.1145      1.00000
      9       1.8014      1.00000
     10       2.6666      1.00152
     11       4.0777     -0.00000
     12       4.0835     -0.00000
     13       5.9817     -0.00000
     14       5.9860     -0.00000
     15       6.0665     -0.00000
     16       8.0123     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.769  23.498   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769  -0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
 -0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.766  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.947 -61.927  -0.000  -0.148   0.000   0.000  -0.011  -0.000
-61.927  33.075   0.000   0.070  -0.000  -0.000   0.007   0.000
 -0.000   0.000   2.065   0.000  -0.000  -0.320   0.000   0.000
 -0.148   0.070   0.000   1.701   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.1489: real time    428.2040
    FORNL :  cpu time      0.4958: real time      0.5017
    FORCOR:  cpu time      1.9509: real time      1.9623
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.293E-05 -.186E-05 0.182E+03   0.414E-13 0.259E-13 -.181E+03   -.339E-05 0.197E-05 -.107E+01
   0.186E-05 0.738E-06 0.922E+02   0.873E-15 0.127E-14 -.922E+02   -.196E-05 -.907E-06 -.832E-01
   0.278E-05 -.484E-07 -.174E+00   -.139E-12 -.824E-13 0.166E+00   -.325E-05 -.126E-06 0.162E-01
   0.731E-06 0.115E-05 -.924E+02   0.128E-12 0.807E-13 0.923E+02   -.400E-06 -.986E-06 0.107E+00
   0.207E-05 0.483E-08 -.181E+03   -.407E-13 -.224E-13 0.180E+03   -.212E-05 0.598E-07 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.843E-05 -.146E-05 -.186E-02   -.971E-14 0.313E-14 0.000E+00   -.111E-04 0.794E-08 0.165E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.031112
      0.00000      0.00000      2.36932        -0.000000     -0.000000     -0.009364
      1.42873      0.82488      4.68338        -0.000001     -0.000001      0.006917
      2.85746      1.64976      7.00049         0.000001      0.000001      0.019283
      0.00000      0.00000      9.37821        -0.000000     -0.000000      0.014276
 -----------------------------------------------------------------------------------
    total drift:                               -0.000003     -0.000001     -0.000043


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439144 eV

  energy  without entropy=      -13.89782642  energy(sigma->0) =      -13.90220310
 
 d Force =-0.6079884E-05[-0.624E-05,-0.592E-05]  d Energy =-0.6855422E-05 0.776E-06
 d Force =-0.4844236E-01[-0.484E-01,-0.484E-01]  d Ewald  =-0.4844236E-01 0.339E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9524: real time      1.9639


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.343E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.0670
 eigenvalue spectrum of G is  0.0670  6.0670


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0668
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9531: real time      1.9655
    EDDIAG:  cpu time    588.9467: real time    593.9181
    CHARGE:  cpu time      0.2677: real time      0.2699
 writing wavefunctions
     LOOP+:  cpu time   8103.4742: real time   8172.0624


--------------------------------------- Iteration     51(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7299
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    586.5587: real time    591.5711
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    588.7951: real time    593.8222

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2342733E-04  (-0.7427034E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009807 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.53079599
  -Hartree energ DENC   =      -699.69455549
  -exchange      EXHF   =        33.25075795
  -V(xc)+E(xc)   XCENC  =       -83.55390344
  PAW double counting   =    101001.82387174  -100900.86456869
  entropy T*S    EENTRO =        -0.00656639
  eigenvalues    EBANDS =       -34.97156065
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436612 eV

  energy without entropy =      -13.89779973  energy(sigma->0) =      -13.90217732
  exchange ACFDT corr.  =        -0.00585455  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     51(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7290
    SETDIJ:  cpu time      1.2347: real time      1.2401
    TRIAL :  cpu time    590.5870: real time    595.6341
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2683: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    592.8173: real time    597.8785

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2721214E-04  ( 0.4153957E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009802 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.53079599
  -Hartree energ DENC   =      -699.44331353
  -exchange      EXHF   =        33.25002221
  -V(xc)+E(xc)   XCENC  =       -83.55417665
  PAW double counting   =    100998.67340245  -100897.71408779
  entropy T*S    EENTRO =        -0.00656051
  eigenvalues    EBANDS =       -35.22185388
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439333 eV

  energy without entropy =      -13.89783282  energy(sigma->0) =      -13.90220649
  exchange ACFDT corr.  =        -0.00583832  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     51(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2320: real time      1.2374
    TRIAL :  cpu time    587.0581: real time    592.1008
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2673: real time      0.2695
    --------------------------------------------
      LOOP:  cpu time    589.2844: real time    594.3410

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7282273E-05  (-0.2002910E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009801 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.53079599
  -Hartree energ DENC   =      -699.37643253
  -exchange      EXHF   =        33.24977244
  -V(xc)+E(xc)   XCENC  =       -83.55427123
  PAW double counting   =    100997.88005058  -100896.92073202
  entropy T*S    EENTRO =        -0.00656983
  eigenvalues    EBANDS =       -35.28839302
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438605 eV

  energy without entropy =      -13.89781622  energy(sigma->0) =      -13.90219611
  exchange ACFDT corr.  =        -0.00583372  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     51(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7289
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    586.8822: real time    591.9172
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    589.1107: real time    594.1592

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1003075E-04  (-0.1468194E-06)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009802 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.53079599
  -Hartree energ DENC   =      -699.48516791
  -exchange      EXHF   =        33.25000941
  -V(xc)+E(xc)   XCENC  =       -83.55418689
  PAW double counting   =    100999.21877846  -100898.25945385
  entropy T*S    EENTRO =        -0.00657460
  eigenvalues    EBANDS =       -35.17998572
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439608 eV

  energy without entropy =      -13.89782148  energy(sigma->0) =      -13.90220455
  exchange ACFDT corr.  =        -0.00584043  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     51(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7289
    SETDIJ:  cpu time      1.2339: real time      1.2393
    TRIAL :  cpu time    590.6124: real time    595.6559
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    585.8012: real time    590.7474
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time   1178.6435: real time   1188.6470

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2592336E-05  (-0.4063104E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009804 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.53079599
  -Hartree energ DENC   =      -699.54323998
  -exchange      EXHF   =        33.25006141
  -V(xc)+E(xc)   XCENC  =       -83.55413456
  PAW double counting   =    100999.80774623  -100898.84841638
  entropy T*S    EENTRO =        -0.00657071
  eigenvalues    EBANDS =       -35.12211186
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439349 eV

  energy without entropy =      -13.89782278  energy(sigma->0) =      -13.90220325
  exchange ACFDT corr.  =        -0.00584403  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9142


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8990       2 -69.7672       3 -69.7569       4 -69.7715       5 -69.9040
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1227     alpha+bet : -8.9779

 Fermi energy:         3.1544132225

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8825      1.00000
      2      -9.9551      1.00000
      3      -8.6027      1.00000
      4      -6.7727      1.00000
      5      -4.3323      1.00000
      6      -1.5895      1.00000
      7       1.6266      1.00000
      8       4.6105     -0.00000
      9       5.3982     -0.00000
     10       7.9220     -0.00000
     11       7.9771     -0.00000
     12      11.8835      0.00000
     13      12.1800      0.00000
     14      16.0673      0.00000
     15      16.0711      0.00000
     16      16.0772      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4964      0.00000
     16      12.7587      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4964      0.00000
     16      12.7598      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4965      0.00000
     16      12.7734      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4227     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5921      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5925      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4227     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5939      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8113      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8110      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8107      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4093      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4092      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4092      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6216      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6218      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0336      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0347      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0343      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0336      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0337      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0336      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0426      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0438      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8283      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8323      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8271      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8525      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8455      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8582      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6671      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6671      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6774      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6778      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6779      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2303     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2331     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8607      1.00000
      2      -0.8590      1.00000
      3      -0.8314      1.00000
      4       0.0017      1.00000
      5       0.0957      1.00000
      6       0.0986      1.00000
      7       1.1125      1.00000
      8       1.1156      1.00000
      9       1.8021      1.00000
     10       2.6678      1.00152
     11       4.0816     -0.00000
     12       4.0847     -0.00000
     13       5.9824     -0.00000
     14       5.9882     -0.00000
     15       6.0714     -0.00000
     16       8.0133     -0.00000
 Fermi energy:         3.1544132225

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8825      1.00000
      2      -9.9551      1.00000
      3      -8.6027      1.00000
      4      -6.7727      1.00000
      5      -4.3323      1.00000
      6      -1.5895      1.00000
      7       1.6266      1.00000
      8       4.6105     -0.00000
      9       5.3982     -0.00000
     10       7.9220     -0.00000
     11       7.9771     -0.00000
     12      11.8835      0.00000
     13      12.1800      0.00000
     14      16.0675      0.00000
     15      16.0701      0.00000
     16      16.0774      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6741      1.00000
      2      -9.7459      1.00000
      3      -8.3926      1.00000
      4      -6.5609      1.00000
      5      -4.1163      1.00000
      6      -1.3794      1.00000
      7       1.8401      1.00000
      8       4.7936     -0.00000
      9       5.5726     -0.00000
     10       8.0900     -0.00000
     11       8.1423     -0.00000
     12      12.0137      0.00000
     13      12.2752      0.00000
     14      13.1303      0.00000
     15      13.8823      0.00000
     16      14.3312      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4965      0.00000
     16      12.7640      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4964      0.00000
     16      12.7589      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0486      1.00000
      2      -9.1184      1.00000
      3      -7.7618      1.00000
      4      -5.9254      1.00000
      5      -3.4697      1.00000
      6      -0.7503      1.00000
      7       2.4661      1.00001
      8       5.3262     -0.00000
      9       6.0906     -0.00000
     10       8.4741     -0.00000
     11       8.6185      0.00000
     12       9.7350      0.00000
     13      10.3016      0.00000
     14      11.3931      0.00000
     15      12.4965      0.00000
     16      12.7599      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5922      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5936      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0056      1.00000
      2      -8.0714      1.00000
      3      -6.7094      1.00000
      4      -4.8662      1.00000
      5      -2.3979      1.00000
      6       0.2873      1.00000
      7       3.4228     -0.03392
      8       5.6479     -0.00000
      9       6.5345     -0.00000
     10       6.8938     -0.00000
     11       7.0386     -0.00000
     12       8.0804     -0.00000
     13       9.3928      0.00000
     14       9.5711      0.00000
     15       9.7992      0.00000
     16      11.5927      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8109      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8113      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5430      1.00000
      2      -6.6026      1.00000
      3      -5.2337      1.00000
      4      -3.3871      1.00000
      5      -0.9317      1.00000
      6       1.5798      1.00000
      7       2.5521      1.00007
      8       3.5566     -0.00801
      9       4.8186     -0.00000
     10       5.1407     -0.00000
     11       6.5103     -0.00000
     12       7.6340     -0.00000
     13       8.2006     -0.00000
     14       8.7141      0.00000
     15      10.5088      0.00000
     16      10.8111      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4092      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4092      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6570      1.00000
      2      -4.7096      1.00000
      3      -3.3397      1.00000
      4      -1.5323      1.00000
      5      -0.6619      1.00000
      6       0.1473      1.00000
      7       1.1235      1.00000
      8       2.0310      1.00000
      9       3.6387     -0.00170
     10       3.7413     -0.00015
     11       5.9348     -0.00000
     12       6.7141     -0.00000
     13       8.2354     -0.00000
     14       9.1810      0.00000
     15       9.7396      0.00000
     16      10.4092      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3566      1.00000
      2      -3.3397      1.00000
      3      -2.4073      1.00000
      4      -2.4045      1.00000
      5      -1.2740      1.00000
      6      -0.8871      1.00000
      7       0.6263      1.00000
      8       1.3690      1.00000
      9       3.3857     -0.03452
     10       3.5301     -0.01221
     11       5.6730     -0.00000
     12       6.0191     -0.00000
     13       8.4137     -0.00000
     14       8.8645      0.00000
     15      10.2417      0.00000
     16      10.5336      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6215      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2571      1.00000
      2      -9.3276      1.00000
      3      -7.9721      1.00000
      4      -6.1372      1.00000
      5      -3.6850      1.00000
      6      -0.9598      1.00000
      7       2.2603      1.00000
      8       5.1531     -0.00000
      9       5.9194     -0.00000
     10       8.4150     -0.00000
     11       8.4512     -0.00000
     12      11.4335      0.00000
     13      11.4490      0.00000
     14      11.9056      0.00000
     15      12.0464      0.00000
     16      12.6323      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4230      1.00000
      2      -8.4904      1.00000
      3      -7.1306      1.00000
      4      -5.2898      1.00000
      5      -2.8254      1.00000
      6      -0.1247      1.00000
      7       3.0652      0.84399
      8       5.8080     -0.00000
      9       6.5882     -0.00000
     10       7.8615     -0.00000
     11       8.6181      0.00000
     12       8.9963      0.00000
     13       9.4147      0.00000
     14       9.8524      0.00000
     15      10.1878      0.00000
     16      10.7456      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0336      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0336      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0336      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0412      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1704      1.00000
      2      -7.2327      1.00000
      3      -5.8665      1.00000
      4      -4.0198      1.00000
      5      -1.5505      1.00000
      6       1.0936      1.00000
      7       3.8167     -0.00002
      8       4.6932     -0.00000
      9       5.4349     -0.00000
     10       6.5232     -0.00000
     11       7.0722     -0.00000
     12       7.6842     -0.00000
     13       8.1717     -0.00000
     14       8.9010      0.00000
     15       9.6246      0.00000
     16      10.0338      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4964      1.00000
      2      -5.5517      1.00000
      3      -4.1800      1.00000
      4      -2.3402      1.00000
      5       0.0203      1.00000
      6       1.0091      1.00000
      7       2.0034      1.00000
      8       2.9943      0.99214
      9       3.5378     -0.01079
     10       5.1835     -0.00000
     11       5.9080     -0.00000
     12       7.3305     -0.00000
     13       7.9855     -0.00000
     14       8.6415      0.00000
     15       9.0926      0.00000
     16       9.1470      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3978      1.00000
      2      -3.4494      1.00000
      3      -2.0962      1.00000
      4      -1.8864      1.00000
      5      -1.0099      1.00000
      6      -0.3614      1.00000
      7       0.6512      1.00000
      8       2.2824      1.00000
      9       2.6616      1.00126
     10       4.7419     -0.00000
     11       4.8996     -0.00000
     12       7.0281     -0.00000
     13       7.4946     -0.00000
     14       8.0242     -0.00000
     15       8.8697      0.00000
     16       9.7005      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0348      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0363      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3795      1.00000
      2      -7.4427      1.00000
      3      -6.0774      1.00000
      4      -4.2312      1.00000
      5      -1.7603      1.00000
      6       0.9017      1.00000
      7       3.9624     -0.00000
      8       6.0214     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3166     -0.00000
     12       7.5225     -0.00000
     13       7.5926     -0.00000
     14       8.3940     -0.00000
     15       8.7545      0.00000
     16      10.0362      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9160      1.00000
      2      -5.9730      1.00000
      3      -4.6017      1.00000
      4      -2.7553      1.00000
      5      -0.3116      1.00000
      6       2.1650      1.00000
      7       3.1411      0.58240
      8       4.1310     -0.00000
      9       5.0954     -0.00000
     10       5.3737     -0.00000
     11       5.9220     -0.00000
     12       6.5009     -0.00000
     13       7.0142     -0.00000
     14       7.7649     -0.00000
     15       8.3989     -0.00000
     16       8.7450      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8362      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8252      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8326      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8396      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8348      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0291      1.00000
      2      -4.0804      1.00000
      3      -2.7113      1.00000
      4      -0.9142      1.00000
      5      -0.0454      1.00000
      6       0.7493      1.00000
      7       1.7143      1.00000
      8       2.6028      1.00032
      9       4.0720     -0.00000
     10       4.2622     -0.00000
     11       4.8733     -0.00000
     12       5.7523     -0.00000
     13       6.6329     -0.00000
     14       7.4089     -0.00000
     15       7.5310     -0.00000
     16       8.8570      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6671      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6671      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7308      1.00000
      2      -2.7137      1.00000
      3      -1.7925      1.00000
      4      -1.7732      1.00000
      5      -0.6597      1.00000
      6      -0.2741      1.00000
      7       1.2268      1.00000
      8       1.9619      1.00000
      9       3.7811     -0.00005
     10       3.9031     -0.00000
     11       4.7310     -0.00000
     12       5.7739     -0.00000
     13       6.3917     -0.00000
     14       6.7616     -0.00000
     15       7.1393     -0.00000
     16       8.6671      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6775      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6774      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2397      1.00000
      2      -4.2913      1.00000
      3      -2.9194      1.00000
      4      -1.0973      1.00000
      5       1.1554      1.00000
      6       2.1091      1.00000
      7       2.2720      1.00000
      8       3.0100      0.97245
      9       3.4741     -0.02340
     10       4.2420     -0.00000
     11       4.4952     -0.00000
     12       4.8666     -0.00000
     13       6.1987     -0.00000
     14       6.8415     -0.00000
     15       7.2542     -0.00000
     16       8.6775      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2304     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2307     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1417      1.00000
      2      -2.1966      1.00000
      3      -0.8590      1.00000
      4      -0.6403      1.00000
      5       0.2131      1.00000
      6       0.8215      1.00000
      7       1.7639      1.00000
      8       1.8395      1.00000
      9       2.5849      1.00020
     10       3.1800      0.39927
     11       4.1337     -0.00000
     12       4.6660     -0.00000
     13       6.0478     -0.00000
     14       6.1467     -0.00000
     15       6.3629     -0.00000
     16       8.2305     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8607      1.00000
      2      -0.8590      1.00000
      3      -0.8314      1.00000
      4       0.0017      1.00000
      5       0.0957      1.00000
      6       0.0986      1.00000
      7       1.1125      1.00000
      8       1.1156      1.00000
      9       1.8021      1.00000
     10       2.6678      1.00152
     11       4.0816     -0.00000
     12       4.0847     -0.00000
     13       5.9824     -0.00000
     14       5.9883     -0.00000
     15       6.0714     -0.00000
     16       8.0137     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.944 -61.926   0.000  -0.148   0.000  -0.000  -0.011  -0.000
-61.926  33.075  -0.000   0.070  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.148   0.070   0.000   1.700   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.5108: real time    427.5792
    FORNL :  cpu time      0.4981: real time      0.5041
    FORCOR:  cpu time      1.9538: real time      1.9656
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.159E-05 0.445E-08 0.182E+03   0.401E-13 0.238E-13 -.181E+03   -.175E-05 0.825E-07 -.107E+01
   0.295E-06 0.127E-06 0.923E+02   0.606E-14 0.691E-14 -.922E+02   -.136E-06 -.150E-06 -.848E-01
   0.269E-06 -.645E-07 -.171E+00   -.150E-12 -.853E-13 0.163E+00   -.396E-06 -.108E-08 0.154E-01
   0.393E-06 0.205E-06 -.924E+02   0.141E-12 0.828E-13 0.923E+02   -.307E-06 -.328E-06 0.107E+00
   -.114E-05 -.113E-05 -.181E+03   -.467E-13 -.251E-13 0.180E+03   0.135E-05 0.126E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.122E-06 -.168E-05 -.176E-03   -.971E-14 0.313E-14 0.568E-13   -.124E-05 0.862E-06 -.958E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.026804
      0.00000      0.00000      2.36946         0.000000      0.000000     -0.003709
      1.42873      0.82488      4.68351        -0.000001     -0.000000      0.006940
      2.85746      1.64976      7.00058         0.000000     -0.000000      0.013640
      0.00000      0.00000      9.37829        -0.000000     -0.000000      0.009933
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001     -0.001225


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439349 eV

  energy  without entropy=      -13.89782278  energy(sigma->0) =      -13.90220325
 
 d Force = 0.2530387E-05[ 0.248E-05, 0.258E-05]  d Energy = 0.2050772E-05 0.480E-06
 d Force = 0.1127027E-01[ 0.113E-01, 0.113E-01]  d Ewald  = 0.1127027E-01-0.387E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9520: real time      1.9638


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.167E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.3615
 eigenvalue spectrum of G is  0.1826  0.5404


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2445: real time      1.3235
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9509: real time      1.9633
    EDDIAG:  cpu time    589.3387: real time    594.3086
    CHARGE:  cpu time      0.2680: real time      0.2702
 writing wavefunctions
     LOOP+:  cpu time   4561.3929: real time   4599.9761


--------------------------------------- Iteration     52(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7239: real time      0.7299
    SETDIJ:  cpu time      1.2296: real time      1.2350
    TRIAL :  cpu time    590.7945: real time    595.8250
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2678: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time    593.0299: real time    598.0749

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2828968E-04  (-0.7632220E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009808 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51327387
  -Hartree energ DENC   =      -699.27885703
  -exchange      EXHF   =        33.24934526
  -V(xc)+E(xc)   XCENC  =       -83.55444717
  PAW double counting   =    100996.33106010  -100895.37173412
  entropy T*S    EENTRO =        -0.00658239
  eigenvalues    EBANDS =       -35.36783316
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436779 eV

  energy without entropy =      -13.89778540  energy(sigma->0) =      -13.90217366
  exchange ACFDT corr.  =        -0.00583224  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     52(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7289
    SETDIJ:  cpu time      1.2365: real time      1.2419
    TRIAL :  cpu time    589.4226: real time    594.4205
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2678: real time      0.2700
    --------------------------------------------
      LOOP:  cpu time    591.6544: real time    596.6659

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2766028E-04  ( 0.2735124E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009816 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51327387
  -Hartree energ DENC   =      -699.52385344
  -exchange      EXHF   =        33.24999628
  -V(xc)+E(xc)   XCENC  =       -83.55420540
  PAW double counting   =    100999.13496522  -100898.17565942
  entropy T*S    EENTRO =        -0.00658879
  eigenvalues    EBANDS =       -35.12371441
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439545 eV

  energy without entropy =      -13.89780666  energy(sigma->0) =      -13.90219919
  exchange ACFDT corr.  =        -0.00584852  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     52(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    590.4831: real time    595.5203
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    592.7088: real time    597.7597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6351547E-05  (-0.2057918E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009822 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51327387
  -Hartree energ DENC   =      -699.58391350
  -exchange      EXHF   =        33.25017824
  -V(xc)+E(xc)   XCENC  =       -83.55413580
  PAW double counting   =    100999.39370820  -100898.43440645
  entropy T*S    EENTRO =        -0.00657991
  eigenvalues    EBANDS =       -35.06388911
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438910 eV

  energy without entropy =      -13.89780919  energy(sigma->0) =      -13.90219580
  exchange ACFDT corr.  =        -0.00585299  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     52(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    588.9659: real time    593.9696
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2679: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time    591.1925: real time    596.2100

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1055520E-04  (-0.6538401E-06)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009826 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51327387
  -Hartree energ DENC   =      -699.47154293
  -exchange      EXHF   =        33.24989854
  -V(xc)+E(xc)   XCENC  =       -83.55423689
  PAW double counting   =    100997.45683330  -100896.49752299
  entropy T*S    EENTRO =        -0.00657511
  eigenvalues    EBANDS =       -35.17590690
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439965 eV

  energy without entropy =      -13.89782454  energy(sigma->0) =      -13.90220795
  exchange ACFDT corr.  =        -0.00584624  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     52(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7293
    SETDIJ:  cpu time      1.2300: real time      1.2354
    TRIAL :  cpu time    588.4791: real time    593.5252
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    587.9749: real time    592.9310
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time   1178.6807: real time   1188.6967

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2339628E-05  (-0.4311809E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009827 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51327387
  -Hartree energ DENC   =      -699.41336371
  -exchange      EXHF   =        33.24988655
  -V(xc)+E(xc)   XCENC  =       -83.55428691
  PAW double counting   =    100996.39901267  -100895.43969016
  entropy T*S    EENTRO =        -0.00657899
  eigenvalues    EBANDS =       -35.23391089
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439731 eV

  energy without entropy =      -13.89781832  energy(sigma->0) =      -13.90220432
  exchange ACFDT corr.  =        -0.00584266  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9560


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8948       2 -69.7825       3 -69.7813       4 -69.7832       5 -69.8949
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1227     alpha+bet : -8.9779

 Fermi energy:         3.1544031911

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2      -9.9607      1.00000
      3      -8.6072      1.00000
      4      -6.7779      1.00000
      5      -4.3372      1.00000
      6      -1.5940      1.00000
      7       1.6231      1.00000
      8       4.6108     -0.00000
      9       5.4076     -0.00000
     10       7.9267     -0.00000
     11       7.9802     -0.00000
     12      11.8864      0.00000
     13      12.1814      0.00000
     14      16.0502      0.00000
     15      16.0549      0.00000
     16      16.0624      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3152      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3153      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3152      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4979      0.00000
     16      12.7556      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4979      0.00000
     16      12.7568      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4980      0.00000
     16      12.7688      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5864      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5867      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5880      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8129      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8129      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8130      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3933      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3932      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3932      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6221      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6222      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6222      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6209      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6206      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0308      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0307      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0317      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0313      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0307      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0308      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6977      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6977      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0346      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0451      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0464      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8212      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8256      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8200      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8467      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8395      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8529      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6749      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6753      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6754      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2263     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2265     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39972
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39972
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2288     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8770      1.00000
      2      -0.8750      1.00000
      3      -0.8467      1.00000
      4      -0.0069      1.00000
      5       0.0911      1.00000
      6       0.0944      1.00000
      7       1.1054      1.00000
      8       1.1094      1.00000
      9       1.8008      1.00000
     10       2.6652      1.00151
     11       4.0774     -0.00000
     12       4.0786     -0.00000
     13       5.9797     -0.00000
     14       5.9850     -0.00000
     15       6.0624     -0.00000
     16       8.0105     -0.00000
 Fermi energy:         3.1544031911

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8982      1.00000
      2      -9.9607      1.00000
      3      -8.6072      1.00000
      4      -6.7779      1.00000
      5      -4.3372      1.00000
      6      -1.5940      1.00000
      7       1.6231      1.00000
      8       4.6108     -0.00000
      9       5.4076     -0.00000
     10       7.9267     -0.00000
     11       7.9802     -0.00000
     12      11.8864      0.00000
     13      12.1814      0.00000
     14      16.0504      0.00000
     15      16.0536      0.00000
     16      16.0626      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3152      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3152      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6898      1.00000
      2      -9.7516      1.00000
      3      -8.3971      1.00000
      4      -6.5661      1.00000
      5      -4.1212      1.00000
      6      -1.3840      1.00000
      7       1.8365      1.00000
      8       4.7938     -0.00000
      9       5.5820     -0.00000
     10       8.0946     -0.00000
     11       8.1453     -0.00000
     12      12.0162      0.00000
     13      12.2763      0.00000
     14      13.1150      0.00000
     15      13.8765      0.00000
     16      14.3152      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4979      0.00000
     16      12.7610      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4979      0.00000
     16      12.7558      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0643      1.00000
      2      -9.1240      1.00000
      3      -7.7663      1.00000
      4      -5.9306      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4626      1.00001
      8       5.3264     -0.00000
      9       6.0999     -0.00000
     10       8.4758     -0.00000
     11       8.6222      0.00000
     12       9.7211      0.00000
     13      10.2966      0.00000
     14      11.3890      0.00000
     15      12.4979      0.00000
     16      12.7571      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5865      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5877      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0213      1.00000
      2      -8.0771      1.00000
      3      -6.7139      1.00000
      4      -4.8715      1.00000
      5      -2.4028      1.00000
      6       0.2827      1.00000
      7       3.4189     -0.03392
      8       5.6394     -0.00000
      9       6.5320     -0.00000
     10       6.8873     -0.00000
     11       7.0453     -0.00000
     12       8.0763     -0.00000
     13       9.3952      0.00000
     14       9.5706      0.00000
     15       9.7984      0.00000
     16      11.5869      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8131      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8137      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5588      1.00000
      2      -6.6083      1.00000
      3      -5.2383      1.00000
      4      -3.3925      1.00000
      5      -0.9369      1.00000
      6       1.5732      1.00000
      7       2.5394      1.00007
      8       3.5517     -0.00798
      9       4.8158     -0.00000
     10       5.1346     -0.00000
     11       6.5051     -0.00000
     12       7.6341     -0.00000
     13       8.2096     -0.00000
     14       8.7090      0.00000
     15      10.5114      0.00000
     16      10.8133      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3932      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3932      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6728      1.00000
      2      -4.7153      1.00000
      3      -3.3443      1.00000
      4      -1.5379      1.00000
      5      -0.6781      1.00000
      6       0.1416      1.00000
      7       1.1200      1.00000
      8       2.0268      1.00000
      9       3.6346     -0.00170
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7105     -0.00000
     13       8.2309     -0.00000
     14       9.1810      0.00000
     15       9.7486      0.00000
     16      10.3932      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6222      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6222      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3725      1.00000
      2      -3.3554      1.00000
      3      -2.4120      1.00000
      4      -2.4115      1.00000
      5      -1.2799      1.00000
      6      -0.8906      1.00000
      7       0.6222      1.00000
      8       1.3637      1.00000
      9       3.3829     -0.03450
     10       3.5227     -0.01221
     11       5.6693     -0.00000
     12       6.0141     -0.00000
     13       8.4103     -0.00000
     14       8.8607      0.00000
     15      10.2257      0.00000
     16      10.5299      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6208      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6204      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2728      1.00000
      2      -9.3333      1.00000
      3      -7.9766      1.00000
      4      -6.1424      1.00000
      5      -3.6899      1.00000
      6      -0.9643      1.00000
      7       2.2567      1.00000
      8       5.1534     -0.00000
      9       5.9287     -0.00000
     10       8.4195     -0.00000
     11       8.4540     -0.00000
     12      11.4175      0.00000
     13      11.4352      0.00000
     14      11.9012      0.00000
     15      12.0435      0.00000
     16      12.6311      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4387      1.00000
      2      -8.4961      1.00000
      3      -7.1351      1.00000
      4      -5.2951      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0617      0.84410
      8       5.8078     -0.00000
      9       6.5969     -0.00000
     10       7.8504     -0.00000
     11       8.6115      0.00000
     12       8.9981      0.00000
     13       9.4149      0.00000
     14       9.8485      0.00000
     15      10.1749      0.00000
     16      10.7400      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0307      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0308      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0307      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0307      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0376      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1861      1.00000
      2      -7.2384      1.00000
      3      -5.8710      1.00000
      4      -4.0252      1.00000
      5      -1.5555      1.00000
      6       1.0888      1.00000
      7       3.8075     -0.00002
      8       4.6855     -0.00000
      9       5.4290     -0.00000
     10       6.5174     -0.00000
     11       7.0720     -0.00000
     12       7.6929     -0.00000
     13       8.1666     -0.00000
     14       8.8890      0.00000
     15       9.6182      0.00000
     16      10.0309      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5122      1.00000
      2      -5.5574      1.00000
      3      -4.1846      1.00000
      4      -2.3457      1.00000
      5       0.0140      1.00000
      6       0.9947      1.00000
      7       1.9984      1.00000
      8       2.9910      0.99214
      9       3.5322     -0.01077
     10       5.1777     -0.00000
     11       5.9041     -0.00000
     12       7.3240     -0.00000
     13       7.9780     -0.00000
     14       8.6381      0.00000
     15       9.1004      0.00000
     16       9.1407      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6977      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6977      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6977      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4136      1.00000
      2      -3.4552      1.00000
      3      -2.1011      1.00000
      4      -1.9019      1.00000
      5      -1.0165      1.00000
      6      -0.3663      1.00000
      7       0.6475      1.00000
      8       2.2794      1.00000
      9       2.6546      1.00126
     10       4.7365     -0.00000
     11       4.8950     -0.00000
     12       7.0215     -0.00000
     13       7.4878     -0.00000
     14       8.0176     -0.00000
     15       8.8637      0.00000
     16       9.6978      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0358      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0379      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3952      1.00000
      2      -7.4483      1.00000
      3      -6.0820      1.00000
      4      -4.2365      1.00000
      5      -1.7652      1.00000
      6       0.8970      1.00000
      7       3.9583     -0.00000
      8       6.0122     -0.00000
      9       6.4918     -0.00000
     10       7.2379     -0.00000
     11       7.3078     -0.00000
     12       7.5195     -0.00000
     13       7.5988     -0.00000
     14       8.3902     -0.00000
     15       8.7493      0.00000
     16      10.0376      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9317      1.00000
      2      -5.9787      1.00000
      3      -4.6062      1.00000
      4      -2.7608      1.00000
      5      -0.3168      1.00000
      6       2.1583      1.00000
      7       3.1283      0.58192
      8       4.1260     -0.00000
      9       5.0847     -0.00000
     10       5.3687     -0.00000
     11       5.9152     -0.00000
     12       6.4955     -0.00000
     13       7.0085     -0.00000
     14       7.7605     -0.00000
     15       8.3987     -0.00000
     16       8.7534      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8294      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8179      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8259      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8333      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8283      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0449      1.00000
      2      -4.0862      1.00000
      3      -2.7159      1.00000
      4      -0.9197      1.00000
      5      -0.0617      1.00000
      6       0.7436      1.00000
      7       1.7104      1.00000
      8       2.5984      1.00032
      9       4.0681     -0.00000
     10       4.2533     -0.00000
     11       4.8606     -0.00000
     12       5.7474     -0.00000
     13       6.6310     -0.00000
     14       7.4050     -0.00000
     15       7.5250     -0.00000
     16       8.8514      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7468      1.00000
      2      -2.7293      1.00000
      3      -1.7997      1.00000
      4      -1.7778      1.00000
      5      -0.6656      1.00000
      6      -0.2778      1.00000
      7       1.2225      1.00000
      8       1.9568      1.00000
      9       3.7776     -0.00005
     10       3.8922     -0.00000
     11       4.7195     -0.00000
     12       5.7704     -0.00000
     13       6.3899     -0.00000
     14       6.7563     -0.00000
     15       7.1336     -0.00000
     16       8.6613      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6751      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6749      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2555      1.00000
      2      -4.2970      1.00000
      3      -2.9240      1.00000
      4      -1.1028      1.00000
      5       1.1486      1.00000
      6       2.0932      1.00000
      7       2.2586      1.00000
      8       3.0034      0.97217
      9       3.4716     -0.02335
     10       4.2386     -0.00000
     11       4.4885     -0.00000
     12       4.8623     -0.00000
     13       6.1948     -0.00000
     14       6.8358     -0.00000
     15       7.2502     -0.00000
     16       8.6751      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39972
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2264     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39972
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2267     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2265     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1575      1.00000
      2      -2.2025      1.00000
      3      -0.8642      1.00000
      4      -0.6556      1.00000
      5       0.2064      1.00000
      6       0.8164      1.00000
      7       1.7500      1.00000
      8       1.8327      1.00000
      9       2.5802      1.00020
     10       3.1765      0.39973
     11       4.1279     -0.00000
     12       4.6628     -0.00000
     13       6.0459     -0.00000
     14       6.1404     -0.00000
     15       6.3564     -0.00000
     16       8.2265     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8770      1.00000
      2      -0.8750      1.00000
      3      -0.8467      1.00000
      4      -0.0069      1.00000
      5       0.0911      1.00000
      6       0.0944      1.00000
      7       1.1054      1.00000
      8       1.1094      1.00000
      9       1.8008      1.00000
     10       2.6652      1.00151
     11       4.0774     -0.00000
     12       4.0786     -0.00000
     13       5.9797     -0.00000
     14       5.9850     -0.00000
     15       6.0624     -0.00000
     16       8.0109     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.925   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.925  33.074  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.149   0.071   0.000   1.700  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.1747: real time    428.2425
    FORNL :  cpu time      0.4976: real time      0.5040
    FORCOR:  cpu time      1.9524: real time      1.9642
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.166E-05 0.103E-06 0.182E+03   0.391E-13 0.258E-13 -.181E+03   -.177E-05 -.382E-06 -.107E+01
   0.115E-05 0.557E-06 0.923E+02   0.609E-14 0.494E-14 -.922E+02   -.850E-06 -.466E-06 -.873E-01
   0.329E-06 -.144E-06 -.165E+00   -.142E-12 -.844E-13 0.157E+00   -.882E-06 -.160E-06 0.130E-01
   0.526E-06 0.194E-05 -.924E+02   0.132E-12 0.840E-13 0.923E+02   -.378E-06 -.244E-05 0.107E+00
   -.202E-05 0.718E-06 -.181E+03   -.446E-13 -.273E-13 0.180E+03   0.213E-05 -.363E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.112E-05 0.300E-05 0.107E-02   -.971E-14 0.313E-14 0.000E+00   -.175E-05 -.381E-05 -.605E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.029410
      0.00000      0.00000      2.36972         0.000000      0.000000     -0.010852
      1.42873      0.82488      4.68378        -0.000000     -0.000000      0.005934
      2.85746      1.64976      7.00072         0.000000     -0.000000      0.019938
      0.00000      0.00000      9.37845        -0.000000      0.000000      0.014389
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001     -0.005454


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439731 eV

  energy  without entropy=      -13.89781832  energy(sigma->0) =      -13.90220432
 
 d Force = 0.4103920E-05[ 0.382E-05, 0.439E-05]  d Energy = 0.3826965E-05 0.277E-06
 d Force = 0.1752212E-01[ 0.175E-01, 0.175E-01]  d Ewald  = 0.1752212E-01-0.711E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9507: real time      1.9624


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.365E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1053
 eigenvalue spectrum of G is  0.1053


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0807
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0842: real time      0.0846
    POTLOK:  cpu time      1.9503: real time      1.9628
    EDDIAG:  cpu time    589.4498: real time    594.4486
    CHARGE:  cpu time      0.2685: real time      0.2707
 writing wavefunctions
     LOOP+:  cpu time   4569.5412: real time   4608.1977


--------------------------------------- Iteration     53(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2461: real time      1.2520
    TRIAL :  cpu time    589.4176: real time    594.4831
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    591.6690: real time    596.7493

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3583143E-04  (-0.8238423E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009822 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.52286648
  -Hartree energ DENC   =      -699.67690712
  -exchange      EXHF   =        33.25066232
  -V(xc)+E(xc)   XCENC  =       -83.55394129
  PAW double counting   =    100999.48130547  -100898.52199157
  entropy T*S    EENTRO =        -0.00655887
  eigenvalues    EBANDS =       -34.98116082
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436382 eV

  energy without entropy =      -13.89780495  energy(sigma->0) =      -13.90217753
  exchange ACFDT corr.  =        -0.00585048  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     53(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2286: real time      1.2344
    TRIAL :  cpu time    590.1433: real time    595.2184
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    592.3674: real time    597.4566

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2861970E-04  ( 0.2886214E-06)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009814 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.52286648
  -Hartree energ DENC   =      -699.42758823
  -exchange      EXHF   =        33.24998338
  -V(xc)+E(xc)   XCENC  =       -83.55419254
  PAW double counting   =    100996.58899178  -100895.62966721
  entropy T*S    EENTRO =        -0.00655198
  eigenvalues    EBANDS =       -35.22961147
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439244 eV

  energy without entropy =      -13.89784046  energy(sigma->0) =      -13.90220845
  exchange ACFDT corr.  =        -0.00583390  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     53(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7277
    SETDIJ:  cpu time      1.2339: real time      1.2397
    TRIAL :  cpu time    589.1170: real time    594.1795
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    591.3450: real time    596.4216

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5846261E-05  (-0.2117472E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009810 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.52286648
  -Hartree energ DENC   =      -699.36613020
  -exchange      EXHF   =        33.24980010
  -V(xc)+E(xc)   XCENC  =       -83.55426139
  PAW double counting   =    100996.23834719  -100895.27902026
  entropy T*S    EENTRO =        -0.00656106
  eigenvalues    EBANDS =       -35.29082078
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438660 eV

  energy without entropy =      -13.89782554  energy(sigma->0) =      -13.90219958
  exchange ACFDT corr.  =        -0.00582913  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     53(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2458: real time      1.2517
    TRIAL :  cpu time    589.3016: real time    594.3260
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    591.5436: real time    596.5820

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1066978E-04  (-0.9984531E-06)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009807 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.52286648
  -Hartree energ DENC   =      -699.48085633
  -exchange      EXHF   =        33.25007751
  -V(xc)+E(xc)   XCENC  =       -83.55416109
  PAW double counting   =    100998.07580692  -100897.11647647
  entropy T*S    EENTRO =        -0.00656592
  eigenvalues    EBANDS =       -35.17647746
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439727 eV

  energy without entropy =      -13.89783134  energy(sigma->0) =      -13.90220863
  exchange ACFDT corr.  =        -0.00583589  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     53(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7296
    SETDIJ:  cpu time      1.2437: real time      1.2491
    TRIAL :  cpu time    590.7911: real time    595.8589
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    592.8655: real time    597.8367
    CHARGE:  cpu time      0.2679: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time   1185.8967: real time   1195.9497

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2642817E-05  (-0.4745784E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009805 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.52286648
  -Hartree energ DENC   =      -699.54064570
  -exchange      EXHF   =        33.25010778
  -V(xc)+E(xc)   XCENC  =       -83.55410712
  PAW double counting   =    100999.15432679  -100898.19499218
  entropy T*S    EENTRO =        -0.00656209
  eigenvalues    EBANDS =       -35.11688768
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439462 eV

  energy without entropy =      -13.89783253  energy(sigma->0) =      -13.90220726
  exchange ACFDT corr.  =        -0.00583945  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9240


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8964       2 -69.7649       3 -69.7569       4 -69.7726       5 -69.9062
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1226     alpha+bet : -8.9779

 Fermi energy:         3.1543514002

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8820      1.00000
      2      -9.9547      1.00000
      3      -8.6025      1.00000
      4      -6.7723      1.00000
      5      -4.3321      1.00000
      6      -1.5893      1.00000
      7       1.6267      1.00000
      8       4.6106     -0.00000
      9       5.3978     -0.00000
     10       7.9218     -0.00000
     11       7.9770     -0.00000
     12      11.8833      0.00000
     13      12.1800      0.00000
     14      16.0678      0.00000
     15      16.0717      0.00000
     16      16.0777      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3933      0.00000
     15      12.4964      0.00000
     16      12.7588      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3933      0.00000
     15      12.4964      0.00000
     16      12.7598      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3934      0.00000
     15      12.4964      0.00000
     16      12.7727      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5924      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5927      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5940      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8111      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8108      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8106      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4098      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4097      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4097      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6217      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6214      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6219      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0346      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0342      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0338      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0335      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0423      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0437      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58217
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8286      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8323      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8273      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8522      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8455      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8581      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6780      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6781      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2305     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2329     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8601      1.00000
      2      -0.8587      1.00000
      3      -0.8308      1.00000
      4       0.0021      1.00000
      5       0.0964      1.00000
      6       0.0987      1.00000
      7       1.1133      1.00000
      8       1.1153      1.00000
      9       1.8023      1.00000
     10       2.6682      1.00152
     11       4.0810     -0.00000
     12       4.0860     -0.00000
     13       5.9825     -0.00000
     14       5.9886     -0.00000
     15       6.0716     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1543514002

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8820      1.00000
      2      -9.9547      1.00000
      3      -8.6025      1.00000
      4      -6.7723      1.00000
      5      -4.3321      1.00000
      6      -1.5893      1.00000
      7       1.6267      1.00000
      8       4.6106     -0.00000
      9       5.3978     -0.00000
     10       7.9218     -0.00000
     11       7.9770     -0.00000
     12      11.8833      0.00000
     13      12.1800      0.00000
     14      16.0680      0.00000
     15      16.0706      0.00000
     16      16.0778      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6736      1.00000
      2      -9.7456      1.00000
      3      -8.3923      1.00000
      4      -6.5605      1.00000
      5      -4.1161      1.00000
      6      -1.3792      1.00000
      7       1.8402      1.00000
      8       4.7936     -0.00000
      9       5.5722     -0.00000
     10       8.0898     -0.00000
     11       8.1422     -0.00000
     12      12.0136      0.00000
     13      12.2753      0.00000
     14      13.1308      0.00000
     15      13.8827      0.00000
     16      14.3317      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3934      0.00000
     15      12.4964      0.00000
     16      12.7636      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3933      0.00000
     15      12.4964      0.00000
     16      12.7590      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0481      1.00000
      2      -9.1180      1.00000
      3      -7.7615      1.00000
      4      -5.9250      1.00000
      5      -3.4694      1.00000
      6      -0.7501      1.00000
      7       2.4662      1.00001
      8       5.3263     -0.00000
      9       6.0902     -0.00000
     10       8.4740     -0.00000
     11       8.6183      0.00000
     12       9.7355      0.00000
     13      10.3020      0.00000
     14      11.3933      0.00000
     15      12.4964      0.00000
     16      12.7598      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5925      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5937      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0051      1.00000
      2      -8.0710      1.00000
      3      -6.7091      1.00000
      4      -4.8658      1.00000
      5      -2.3977      1.00000
      6       0.2876      1.00000
      7       3.4229     -0.03392
      8       5.6483     -0.00000
      9       6.5347     -0.00000
     10       6.8942     -0.00000
     11       7.0382     -0.00000
     12       8.0807     -0.00000
     13       9.3928      0.00000
     14       9.5712      0.00000
     15       9.7993      0.00000
     16      11.5929      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8108      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8112      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5425      1.00000
      2      -6.6023      1.00000
      3      -5.2335      1.00000
      4      -3.3867      1.00000
      5      -0.9315      1.00000
      6       1.5801      1.00000
      7       2.5525      1.00007
      8       3.5570     -0.00804
      9       4.8188     -0.00000
     10       5.1408     -0.00000
     11       6.5107     -0.00000
     12       7.6341     -0.00000
     13       8.2002     -0.00000
     14       8.7144      0.00000
     15      10.5087      0.00000
     16      10.8110      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4097      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4097      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6565      1.00000
      2      -4.7092      1.00000
      3      -3.3394      1.00000
      4      -1.5319      1.00000
      5      -0.6614      1.00000
      6       0.1476      1.00000
      7       1.1238      1.00000
      8       2.0312      1.00000
      9       3.6390     -0.00169
     10       3.7416     -0.00015
     11       5.9350     -0.00000
     12       6.7142     -0.00000
     13       8.2356     -0.00000
     14       9.1811      0.00000
     15       9.7392      0.00000
     16      10.4097      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3561      1.00000
      2      -3.3392      1.00000
      3      -2.4069      1.00000
      4      -2.4041      1.00000
      5      -1.2737      1.00000
      6      -0.8868      1.00000
      7       0.6267      1.00000
      8       1.3694      1.00000
      9       3.3859     -0.03452
     10       3.5303     -0.01222
     11       5.6732     -0.00000
     12       6.0193     -0.00000
     13       8.4138     -0.00000
     14       8.8646      0.00000
     15      10.2422      0.00000
     16      10.5338      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6216      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2566      1.00000
      2      -9.3272      1.00000
      3      -7.9719      1.00000
      4      -6.1368      1.00000
      5      -3.6848      1.00000
      6      -0.9595      1.00000
      7       2.2603      1.00000
      8       5.1532     -0.00000
      9       5.9190     -0.00000
     10       8.4148     -0.00000
     11       8.4511     -0.00000
     12      11.4340      0.00000
     13      11.4494      0.00000
     14      11.9059      0.00000
     15      12.0465      0.00000
     16      12.6318      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4225      1.00000
      2      -8.4900      1.00000
      3      -7.1303      1.00000
      4      -5.2895      1.00000
      5      -2.8251      1.00000
      6      -0.1245      1.00000
      7       3.0653      0.84410
      8       5.8081     -0.00000
      9       6.5879     -0.00000
     10       7.8619     -0.00000
     11       8.6185      0.00000
     12       8.9962      0.00000
     13       9.4147      0.00000
     14       9.8527      0.00000
     15      10.1882      0.00000
     16      10.7460      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0338      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0337      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0396      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1699      1.00000
      2      -7.2324      1.00000
      3      -5.8663      1.00000
      4      -4.0194      1.00000
      5      -1.5503      1.00000
      6       1.0939      1.00000
      7       3.8170     -0.00002
      8       4.6935     -0.00000
      9       5.4353     -0.00000
     10       6.5234     -0.00000
     11       7.0723     -0.00000
     12       7.6838     -0.00000
     13       8.1721     -0.00000
     14       8.9014      0.00000
     15       9.6250      0.00000
     16      10.0338      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4959      1.00000
      2      -5.5513      1.00000
      3      -4.1797      1.00000
      4      -2.3399      1.00000
      5       0.0205      1.00000
      6       1.0095      1.00000
      7       2.0037      1.00000
      8       2.9945      0.99220
      9       3.5380     -0.01080
     10       5.1839     -0.00000
     11       5.9081     -0.00000
     12       7.3308     -0.00000
     13       7.9858     -0.00000
     14       8.6417      0.00000
     15       9.0922      0.00000
     16       9.1474      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3973      1.00000
      2      -3.4490      1.00000
      3      -2.0959      1.00000
      4      -1.8858      1.00000
      5      -1.0095      1.00000
      6      -0.3611      1.00000
      7       0.6515      1.00000
      8       2.2827      1.00000
      9       2.6619      1.00126
     10       4.7420     -0.00000
     11       4.8999     -0.00000
     12       7.0285     -0.00000
     13       7.4949     -0.00000
     14       8.0245     -0.00000
     15       8.8700      0.00000
     16       9.7006      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0346      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0362      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3790      1.00000
      2      -7.4423      1.00000
      3      -6.0772      1.00000
      4      -4.2308      1.00000
      5      -1.7600      1.00000
      6       0.9019      1.00000
      7       3.9626     -0.00000
      8       6.0217     -0.00000
      9       6.5030     -0.00000
     10       7.2436     -0.00000
     11       7.3170     -0.00000
     12       7.5228     -0.00000
     13       7.5923     -0.00000
     14       8.3943     -0.00000
     15       8.7548      0.00000
     16      10.0361      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58217
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9155      1.00000
      2      -5.9726      1.00000
      3      -4.6014      1.00000
      4      -2.7550      1.00000
      5      -0.3113      1.00000
      6       2.1653      1.00000
      7       3.1416      0.58216
      8       4.1314     -0.00000
      9       5.0958     -0.00000
     10       5.3740     -0.00000
     11       5.9222     -0.00000
     12       6.5012     -0.00000
     13       7.0145     -0.00000
     14       7.7651     -0.00000
     15       8.3991     -0.00000
     16       8.7446      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8362      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8255      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8325      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8394      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8347      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0286      1.00000
      2      -4.0800      1.00000
      3      -2.7110      1.00000
      4      -0.9138      1.00000
      5      -0.0449      1.00000
      6       0.7497      1.00000
      7       1.7146      1.00000
      8       2.6031      1.00032
      9       4.0723     -0.00000
     10       4.2626     -0.00000
     11       4.8737     -0.00000
     12       5.7527     -0.00000
     13       6.6331     -0.00000
     14       7.4091     -0.00000
     15       7.5311     -0.00000
     16       8.8568      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7303      1.00000
      2      -2.7131      1.00000
      3      -1.7921      1.00000
      4      -1.7729      1.00000
      5      -0.6595      1.00000
      6      -0.2739      1.00000
      7       1.2271      1.00000
      8       1.9623      1.00000
      9       3.7813     -0.00005
     10       3.9035     -0.00000
     11       4.7314     -0.00000
     12       5.7743     -0.00000
     13       6.3919     -0.00000
     14       6.7618     -0.00000
     15       7.1396     -0.00000
     16       8.6675      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6777      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2392      1.00000
      2      -4.2909      1.00000
      3      -2.9191      1.00000
      4      -1.0969      1.00000
      5       1.1557      1.00000
      6       2.1096      1.00000
      7       2.2725      1.00000
      8       3.0103      0.97267
      9       3.4744     -0.02346
     10       4.2423     -0.00000
     11       4.4955     -0.00000
     12       4.8668     -0.00000
     13       6.1991     -0.00000
     14       6.8418     -0.00000
     15       7.2544     -0.00000
     16       8.6777      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2305     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2308     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1412      1.00000
      2      -2.1963      1.00000
      3      -0.8588      1.00000
      4      -0.6398      1.00000
      5       0.2135      1.00000
      6       0.8218      1.00000
      7       1.7644      1.00000
      8       1.8398      1.00000
      9       2.5852      1.00020
     10       3.1802      0.39928
     11       4.1340     -0.00000
     12       4.6663     -0.00000
     13       6.0480     -0.00000
     14       6.1470     -0.00000
     15       6.3633     -0.00000
     16       8.2307     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8601      1.00000
      2      -0.8587      1.00000
      3      -0.8308      1.00000
      4       0.0021      1.00000
      5       0.0964      1.00000
      6       0.0987      1.00000
      7       1.1133      1.00000
      8       1.1153      1.00000
      9       1.8023      1.00000
     10       2.6682      1.00152
     11       4.0810     -0.00000
     12       4.0860     -0.00000
     13       5.9825     -0.00000
     14       5.9886     -0.00000
     15       6.0716     -0.00000
     16       8.0139     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.948 -61.928  -0.000  -0.148  -0.000   0.000  -0.011   0.000
-61.928  33.076   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.148   0.070  -0.000   1.700   0.000  -0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.008   0.000  -0.260  -0.000   0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.5031: real time    428.5704
    FORNL :  cpu time      0.4979: real time      0.5043
    FORCOR:  cpu time      1.9617: real time      1.9736
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.101E-05 -.129E-05 0.182E+03   0.441E-13 0.263E-13 -.181E+03   -.104E-05 0.111E-05 -.107E+01
   0.556E-06 0.922E-06 0.922E+02   -.104E-14 0.859E-14 -.922E+02   -.469E-06 -.730E-06 -.819E-01
   0.210E-06 -.460E-06 -.169E+00   -.147E-12 -.890E-13 0.161E+00   -.263E-06 0.863E-07 0.163E-01
   0.767E-06 0.151E-05 -.924E+02   0.138E-12 0.870E-13 0.923E+02   -.723E-06 -.194E-05 0.107E+00
   -.104E-05 -.101E-05 -.181E+03   -.431E-13 -.298E-13 0.180E+03   0.113E-05 0.129E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.564E-07 -.119E-05 -.142E-02   -.971E-14 0.313E-14 -.568E-13   -.137E-05 -.173E-06 0.388E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.026913
      0.00000      0.00000      2.36939        -0.000000      0.000000     -0.003319
      1.42873      0.82488      4.68355        -0.000000     -0.000000      0.007384
      2.85746      1.64976      7.00064         0.000000     -0.000000      0.014027
      0.00000      0.00000      9.37827        -0.000000      0.000000      0.008821
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001      0.002723


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439462 eV

  energy  without entropy=      -13.89783253  energy(sigma->0) =      -13.90220726
 
 d Force =-0.2606574E-05[-0.330E-05,-0.191E-05]  d Energy =-0.2691391E-05 0.848E-07
 d Force =-0.9592614E-02[-0.959E-02,-0.959E-02]  d Ewald  =-0.9592614E-02 0.192E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9604: real time      1.9723


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.164E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2298
 eigenvalue spectrum of G is  0.2298


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0763
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9600: real time      1.9727
    EDDIAG:  cpu time    591.3713: real time    596.3490
    CHARGE:  cpu time      0.2681: real time      0.2702
 writing wavefunctions
     LOOP+:  cpu time   4577.3772: real time   4616.0139


--------------------------------------- Iteration     54(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7297
    SETDIJ:  cpu time      1.2450: real time      1.2505
    TRIAL :  cpu time    590.5345: real time    595.6137
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    592.7851: real time    597.8790

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3680897E-04  (-0.1067994E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009796 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50702873
  -Hartree energ DENC   =      -699.23044729
  -exchange      EXHF   =        33.24936221
  -V(xc)+E(xc)   XCENC  =       -83.55443882
  PAW double counting   =    100995.14190159  -100894.18255059
  entropy T*S    EENTRO =        -0.00654441
  eigenvalues    EBANDS =       -35.41007935
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436046 eV

  energy without entropy =      -13.89781605  energy(sigma->0) =      -13.90217899
  exchange ACFDT corr.  =        -0.00580896  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     54(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2445: real time      1.2500
    TRIAL :  cpu time    588.9918: real time    594.0353
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2683: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    591.2319: real time    596.2897

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3162936E-04  (-0.9590369E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009803 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50702873
  -Hartree energ DENC   =      -699.50827762
  -exchange      EXHF   =        33.25018483
  -V(xc)+E(xc)   XCENC  =       -83.55413390
  PAW double counting   =    100998.46616206  -100897.50682172
  entropy T*S    EENTRO =        -0.00654973
  eigenvalues    EBANDS =       -35.13337430
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439209 eV

  energy without entropy =      -13.89784235  energy(sigma->0) =      -13.90220884
  exchange ACFDT corr.  =        -0.00582647  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     54(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7286
    SETDIJ:  cpu time      1.2443: real time      1.2501
    TRIAL :  cpu time    589.4638: real time    594.5004
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    591.7044: real time    596.7551

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2926769E-05  (-0.2387439E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009806 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50702873
  -Hartree energ DENC   =      -699.58557969
  -exchange      EXHF   =        33.25049547
  -V(xc)+E(xc)   XCENC  =       -83.55401576
  PAW double counting   =    100999.25277675  -100898.29344730
  entropy T*S    EENTRO =        -0.00653876
  eigenvalues    EBANDS =       -35.05648188
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438916 eV

  energy without entropy =      -13.89785040  energy(sigma->0) =      -13.90220957
  exchange ACFDT corr.  =        -0.00583102  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     54(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2451: real time      1.2505
    TRIAL :  cpu time    591.0216: real time    596.0713
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2686: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    593.2622: real time    598.3256

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1196560E-04  (-0.3242339E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009804 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50702873
  -Hartree energ DENC   =      -699.46870204
  -exchange      EXHF   =        33.25024118
  -V(xc)+E(xc)   XCENC  =       -83.55410591
  PAW double counting   =    100997.73203165  -100896.77271483
  entropy T*S    EENTRO =        -0.00653280
  eigenvalues    EBANDS =       -35.17302540
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440113 eV

  energy without entropy =      -13.89786833  energy(sigma->0) =      -13.90222353
  exchange ACFDT corr.  =        -0.00582319  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     54(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2428: real time      1.2482
    TRIAL :  cpu time    590.1972: real time    595.2506
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    588.5065: real time    593.4650
    CHARGE:  cpu time      0.2680: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time   1180.9417: real time   1190.9674

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3005203E-05  (-0.6728940E-05)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009801 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50702873
  -Hartree energ DENC   =      -699.40441967
  -exchange      EXHF   =        33.25017808
  -V(xc)+E(xc)   XCENC  =       -83.55416168
  PAW double counting   =    100997.05931975  -100896.10000227
  entropy T*S    EENTRO =        -0.00653679
  eigenvalues    EBANDS =       -35.23709355
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439812 eV

  energy without entropy =      -13.89786134  energy(sigma->0) =      -13.90221919
  exchange ACFDT corr.  =        -0.00581874  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0182


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8985       2 -69.7860       3 -69.7831       4 -69.7798       5 -69.8898
 
 
 
 E-fermi :   3.1543     XC(G=0):  -5.1226     alpha+bet : -8.9779

 Fermi energy:         3.1543196043

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8985      1.00000
      2      -9.9613      1.00000
      3      -8.6077      1.00000
      4      -6.7773      1.00000
      5      -4.3373      1.00000
      6      -1.5940      1.00000
      7       1.6227      1.00000
      8       4.6113     -0.00000
      9       5.4078     -0.00000
     10       7.9268     -0.00000
     11       7.9804     -0.00000
     12      11.8864      0.00000
     13      12.1815      0.00000
     14      16.0500      0.00000
     15      16.0546      0.00000
     16      16.0620      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7558      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7569      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7682      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5863      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5866      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5877      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8131      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8130      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8131      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3930      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3929      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3929      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6207      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6215      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0314      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0310      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0350      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0451      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0467      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8211      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8258      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8203      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8460      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8392      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8522      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6752      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6755      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6756      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2262     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2262     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2262     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2283     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8777      1.00000
      2      -0.8749      1.00000
      3      -0.8468      1.00000
      4      -0.0073      1.00000
      5       0.0897      1.00000
      6       0.0941      1.00000
      7       1.1039      1.00000
      8       1.1097      1.00000
      9       1.8008      1.00000
     10       2.6659      1.00153
     11       4.0774     -0.00000
     12       4.0797     -0.00000
     13       5.9803     -0.00000
     14       5.9847     -0.00000
     15       6.0619     -0.00000
     16       8.0109     -0.00000
 Fermi energy:         3.1543196043

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8985      1.00000
      2      -9.9613      1.00000
      3      -8.6077      1.00000
      4      -6.7773      1.00000
      5      -4.3373      1.00000
      6      -1.5940      1.00000
      7       1.6227      1.00000
      8       4.6113     -0.00000
      9       5.4078     -0.00000
     10       7.9268     -0.00000
     11       7.9804     -0.00000
     12      11.8864      0.00000
     13      12.1815      0.00000
     14      16.0501      0.00000
     15      16.0534      0.00000
     16      16.0622      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6901      1.00000
      2      -9.7522      1.00000
      3      -8.3975      1.00000
      4      -6.5655      1.00000
      5      -4.1213      1.00000
      6      -1.3840      1.00000
      7       1.8362      1.00000
      8       4.7943     -0.00000
      9       5.5822     -0.00000
     10       8.0948     -0.00000
     11       8.1455     -0.00000
     12      12.0163      0.00000
     13      12.2765      0.00000
     14      13.1146      0.00000
     15      13.8760      0.00000
     16      14.3150      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7607      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7560      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0646      1.00000
      2      -9.1246      1.00000
      3      -7.7668      1.00000
      4      -5.9300      1.00000
      5      -3.4746      1.00000
      6      -0.7549      1.00000
      7       2.4622      1.00001
      8       5.3269     -0.00000
      9       6.1001     -0.00000
     10       8.4759     -0.00000
     11       8.6223      0.00000
     12       9.7208      0.00000
     13      10.2961      0.00000
     14      11.3887      0.00000
     15      12.4980      0.00000
     16      12.7571      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5864      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5875      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0216      1.00000
      2      -8.0777      1.00000
      3      -6.7144      1.00000
      4      -4.8709      1.00000
      5      -2.4029      1.00000
      6       0.2827      1.00000
      7       3.4186     -0.03395
      8       5.6393     -0.00000
      9       6.5323     -0.00000
     10       6.8867     -0.00000
     11       7.0455     -0.00000
     12       8.0759     -0.00000
     13       9.3955      0.00000
     14       9.5709      0.00000
     15       9.7986      0.00000
     16      11.5868      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8132      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8138      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5591      1.00000
      2      -6.6090      1.00000
      3      -5.2388      1.00000
      4      -3.3919      1.00000
      5      -0.9369      1.00000
      6       1.5731      1.00000
      7       2.5393      1.00007
      8       3.5511     -0.00811
      9       4.8153     -0.00000
     10       5.1342     -0.00000
     11       6.5057     -0.00000
     12       7.6346     -0.00000
     13       8.2097     -0.00000
     14       8.7090      0.00000
     15      10.5115      0.00000
     16      10.8134      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3929      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3929      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6731      1.00000
      2      -4.7160      1.00000
      3      -3.3448      1.00000
      4      -1.5373      1.00000
      5      -0.6783      1.00000
      6       0.1410      1.00000
      7       1.1199      1.00000
      8       2.0264      1.00000
      9       3.6351     -0.00169
     10       3.7349     -0.00015
     11       5.9300     -0.00000
     12       6.7103     -0.00000
     13       8.2309     -0.00000
     14       9.1815      0.00000
     15       9.7487      0.00000
     16      10.3929      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3728      1.00000
      2      -3.3556      1.00000
      3      -2.4128      1.00000
      4      -2.4120      1.00000
      5      -1.2805      1.00000
      6      -0.8909      1.00000
      7       0.6228      1.00000
      8       1.3642      1.00000
      9       3.3830     -0.03450
     10       3.5225     -0.01224
     11       5.6695     -0.00000
     12       6.0141     -0.00000
     13       8.4101     -0.00000
     14       8.8605      0.00000
     15      10.2254      0.00000
     16      10.5301      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6206      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2731      1.00000
      2      -9.3339      1.00000
      3      -7.9771      1.00000
      4      -6.1419      1.00000
      5      -3.6900      1.00000
      6      -0.9643      1.00000
      7       2.2564      1.00000
      8       5.1539     -0.00000
      9       5.9289     -0.00000
     10       8.4196     -0.00000
     11       8.4541     -0.00000
     12      11.4173      0.00000
     13      11.4349      0.00000
     14      11.9010      0.00000
     15      12.0427      0.00000
     16      12.6302      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4390      1.00000
      2      -8.4967      1.00000
      3      -7.1355      1.00000
      4      -5.2945      1.00000
      5      -2.8303      1.00000
      6      -0.1293      1.00000
      7       3.0614      0.84470
      8       5.8082     -0.00000
      9       6.5971     -0.00000
     10       7.8503     -0.00000
     11       8.6109      0.00000
     12       8.9983      0.00000
     13       9.4151      0.00000
     14       9.8481      0.00000
     15      10.1747      0.00000
     16      10.7396      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0306      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0359      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1864      1.00000
      2      -7.2390      1.00000
      3      -5.8715      1.00000
      4      -4.0246      1.00000
      5      -1.5556      1.00000
      6       1.0888      1.00000
      7       3.8073     -0.00002
      8       4.6852     -0.00000
      9       5.4284     -0.00000
     10       6.5170     -0.00000
     11       7.0725     -0.00000
     12       7.6931     -0.00000
     13       8.1671     -0.00000
     14       8.8889      0.00000
     15       9.6177      0.00000
     16      10.0307      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5124      1.00000
      2      -5.5581      1.00000
      3      -4.1850      1.00000
      4      -2.3451      1.00000
      5       0.0139      1.00000
      6       0.9945      1.00000
      7       1.9980      1.00000
      8       2.9909      0.99243
      9       3.5318     -0.01085
     10       5.1782     -0.00000
     11       5.9039     -0.00000
     12       7.3239     -0.00000
     13       7.9779     -0.00000
     14       8.6384      0.00000
     15       9.1004      0.00000
     16       9.1402      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4139      1.00000
      2      -3.4559      1.00000
      3      -2.1016      1.00000
      4      -1.9022      1.00000
      5      -1.0170      1.00000
      6      -0.3661      1.00000
      7       0.6474      1.00000
      8       2.2798      1.00000
      9       2.6547      1.00126
     10       4.7362     -0.00000
     11       4.8953     -0.00000
     12       7.0215     -0.00000
     13       7.4877     -0.00000
     14       8.0174     -0.00000
     15       8.8630      0.00000
     16       9.6976      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0360      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0382      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3955      1.00000
      2      -7.4490      1.00000
      3      -6.0824      1.00000
      4      -4.2359      1.00000
      5      -1.7653      1.00000
      6       0.8970      1.00000
      7       3.9580     -0.00000
      8       6.0121     -0.00000
      9       6.4916     -0.00000
     10       7.2378     -0.00000
     11       7.3077     -0.00000
     12       7.5189     -0.00000
     13       7.5988     -0.00000
     14       8.3898     -0.00000
     15       8.7489      0.00000
     16      10.0378      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9320      1.00000
      2      -5.9793      1.00000
      3      -4.6067      1.00000
      4      -2.7602      1.00000
      5      -0.3168      1.00000
      6       2.1582      1.00000
      7       3.1282      0.58097
      8       4.1254     -0.00000
      9       5.0845     -0.00000
     10       5.3683     -0.00000
     11       5.9149     -0.00000
     12       6.4952     -0.00000
     13       7.0086     -0.00000
     14       7.7604     -0.00000
     15       8.3993     -0.00000
     16       8.7536      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8290      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8180      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8260      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8332      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8285      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0452      1.00000
      2      -4.0868      1.00000
      3      -2.7164      1.00000
      4      -0.9192      1.00000
      5      -0.0619      1.00000
      6       0.7430      1.00000
      7       1.7103      1.00000
      8       2.5981      1.00032
      9       4.0682     -0.00000
     10       4.2535     -0.00000
     11       4.8605     -0.00000
     12       5.7470     -0.00000
     13       6.6309     -0.00000
     14       7.4046     -0.00000
     15       7.5247     -0.00000
     16       8.8507      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7471      1.00000
      2      -2.7295      1.00000
      3      -1.8002      1.00000
      4      -1.7786      1.00000
      5      -0.6662      1.00000
      6      -0.2781      1.00000
      7       1.2231      1.00000
      8       1.9573      1.00000
      9       3.7775     -0.00005
     10       3.8920     -0.00000
     11       4.7192     -0.00000
     12       5.7702     -0.00000
     13       6.3901     -0.00000
     14       6.7561     -0.00000
     15       7.1332     -0.00000
     16       8.6617      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6753      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6752      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2557      1.00000
      2      -4.2977      1.00000
      3      -2.9245      1.00000
      4      -1.1023      1.00000
      5       1.1484      1.00000
      6       2.0929      1.00000
      7       2.2584      1.00000
      8       3.0030      0.97317
      9       3.4710     -0.02360
     10       4.2383     -0.00000
     11       4.4882     -0.00000
     12       4.8620     -0.00000
     13       6.1953     -0.00000
     14       6.8362     -0.00000
     15       7.2501     -0.00000
     16       8.6753      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2262     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39955
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2265     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1578      1.00000
      2      -2.2032      1.00000
      3      -0.8647      1.00000
      4      -0.6559      1.00000
      5       0.2058      1.00000
      6       0.8166      1.00000
      7       1.7497      1.00000
      8       1.8326      1.00000
      9       2.5796      1.00020
     10       3.1767      0.39956
     11       4.1280     -0.00000
     12       4.6627     -0.00000
     13       6.0460     -0.00000
     14       6.1406     -0.00000
     15       6.3566     -0.00000
     16       8.2263     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8777      1.00000
      2      -0.8749      1.00000
      3      -0.8468      1.00000
      4      -0.0073      1.00000
      5       0.0897      1.00000
      6       0.0941      1.00000
      7       1.1039      1.00000
      8       1.1097      1.00000
      9       1.8008      1.00000
     10       2.6659      1.00153
     11       4.0774     -0.00000
     12       4.0797     -0.00000
     13       5.9803     -0.00000
     14       5.9847     -0.00000
     15       6.0619     -0.00000
     16       8.0112     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.948 -61.928  -0.000  -0.148  -0.000   0.000  -0.011   0.000
-61.928  33.076   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.148   0.070   0.000   1.701  -0.000  -0.000  -0.260   0.000
 -0.000   0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.008  -0.000  -0.260   0.000   0.000   0.040  -0.000
  0.000  -0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.8250: real time    426.8435
    FORNL :  cpu time      0.4979: real time      0.5039
    FORCOR:  cpu time      1.9594: real time      1.9706
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.155E-05 0.703E-07 0.182E+03   0.414E-13 0.252E-13 -.181E+03   -.171E-05 -.570E-06 -.107E+01
   0.933E-06 0.110E-05 0.922E+02   0.843E-14 0.948E-14 -.922E+02   -.629E-06 -.883E-06 -.795E-01
   0.508E-06 -.381E-06 -.162E+00   -.157E-12 -.939E-13 0.154E+00   -.973E-06 0.129E-07 0.136E-01
   0.886E-06 0.215E-05 -.924E+02   0.142E-12 0.924E-13 0.923E+02   -.604E-06 -.249E-05 0.103E+00
   -.103E-05 0.719E-06 -.181E+03   -.448E-13 -.301E-13 0.180E+03   0.108E-05 -.481E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.123E-05 0.284E-05 -.424E-02   -.971E-14 0.313E-14 0.000E+00   -.285E-05 -.441E-05 0.112E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.030364
      0.00000      0.00000      2.36926         0.000000      0.000000     -0.008481
      1.42873      0.82488      4.68372        -0.000000     -0.000000      0.005142
      2.85746      1.64976      7.00090         0.000000     -0.000000      0.017805
      0.00000      0.00000      9.37816        -0.000000      0.000000      0.015897
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002     -0.000002     -0.003051


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439812 eV

  energy  without entropy=      -13.89786134  energy(sigma->0) =      -13.90221919
 
 d Force = 0.4504140E-05[ 0.475E-05, 0.426E-05]  d Energy = 0.3496840E-05 0.101E-05
 d Force = 0.1583775E-01[ 0.158E-01, 0.158E-01]  d Ewald  = 0.1583775E-01 0.267E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9587: real time      1.9704


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.322E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1045
 eigenvalue spectrum of G is  0.1045


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0792
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0846
    POTLOK:  cpu time      1.9579: real time      1.9697
    EDDIAG:  cpu time    587.5558: real time    592.5342
    CHARGE:  cpu time      0.2680: real time      0.2702
 writing wavefunctions
     LOOP+:  cpu time   4568.9794: real time   4607.5099


--------------------------------------- Iteration     55(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7308
    SETDIJ:  cpu time      1.2333: real time      1.2387
    TRIAL :  cpu time    589.8080: real time    594.9068
    CORREC:  cpu time      0.0041: real time      0.0041
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    592.0490: real time    597.1628

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6450138E-04  (-0.1847131E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009824 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.72628969
  -exchange      EXHF   =        33.25075203
  -V(xc)+E(xc)   XCENC  =       -83.55389356
  PAW double counting   =    101001.57211528  -100900.61282583
  entropy T*S    EENTRO =        -0.00656216
  eigenvalues    EBANDS =       -34.91937646
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433662 eV

  energy without entropy =      -13.89777447  energy(sigma->0) =      -13.90214924
  exchange ACFDT corr.  =        -0.00585153  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     55(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2342: real time      1.2400
    TRIAL :  cpu time    594.0929: real time    599.2557
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    596.3232: real time    601.5005

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3515233E-04  (-0.5387927E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009818 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.41610124
  -exchange      EXHF   =        33.24982257
  -V(xc)+E(xc)   XCENC  =       -83.55424041
  PAW double counting   =    100997.67213639  -100896.71282592
  entropy T*S    EENTRO =        -0.00655569
  eigenvalues    EBANDS =       -35.22837007
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437178 eV

  energy without entropy =      -13.89781609  energy(sigma->0) =      -13.90218655
  exchange ACFDT corr.  =        -0.00583186  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     55(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7284
    SETDIJ:  cpu time      1.2323: real time      1.2381
    TRIAL :  cpu time    591.3406: real time    596.4557
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    593.5685: real time    598.6976

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1231069E-04  (-0.2946756E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009817 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.32889149
  -exchange      EXHF   =        33.24948048
  -V(xc)+E(xc)   XCENC  =       -83.55437210
  PAW double counting   =    100996.50989414  -100895.55056656
  entropy T*S    EENTRO =        -0.00656766
  eigenvalues    EBANDS =       -35.31514192
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438409 eV

  energy without entropy =      -13.89781642  energy(sigma->0) =      -13.90219487
  exchange ACFDT corr.  =        -0.00582680  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     55(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2326: real time      1.2383
    TRIAL :  cpu time    590.6882: real time    595.7897
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.9169: real time    598.0325

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1404833E-04  (-0.1231933E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009819 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.45958526
  -exchange      EXHF   =        33.24976200
  -V(xc)+E(xc)   XCENC  =       -83.55427390
  PAW double counting   =    100998.09571314  -100897.13639091
  entropy T*S    EENTRO =        -0.00657381
  eigenvalues    EBANDS =       -35.18482459
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439814 eV

  energy without entropy =      -13.89782433  energy(sigma->0) =      -13.90220687
  exchange ACFDT corr.  =        -0.00583545  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     55(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2317: real time      1.2370
    TRIAL :  cpu time    591.5295: real time    596.6118
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    593.7558: real time    598.8517

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3897818E-05  (-0.1373055E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009821 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.53147357
  -exchange      EXHF   =        33.24996106
  -V(xc)+E(xc)   XCENC  =       -83.55420470
  PAW double counting   =    100998.75318054  -100897.79385543
  entropy T*S    EENTRO =        -0.00656908
  eigenvalues    EBANDS =       -35.11319738
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439424 eV

  energy without entropy =      -13.89782515  energy(sigma->0) =      -13.90220454
  exchange ACFDT corr.  =        -0.00584032  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     55(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    588.9770: real time    594.0373
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    588.9795: real time    593.9783
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time   1180.1836: real time   1190.2565

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7026785E-05  (-0.1348350E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009822 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.51038481
  -Hartree energ DENC   =      -699.48095013
  -exchange      EXHF   =        33.24978924
  -V(xc)+E(xc)   XCENC  =       -83.55424145
  PAW double counting   =    100997.90491202  -100896.94558336
  entropy T*S    EENTRO =        -0.00656472
  eigenvalues    EBANDS =       -35.16360741
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440126 eV

  energy without entropy =      -13.89783654  energy(sigma->0) =      -13.90221302
  exchange ACFDT corr.  =        -0.00583739  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9080


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9001       2 -69.7744       3 -69.7656       4 -69.7741       5 -69.8989
 
 
 
 E-fermi :   3.1546     XC(G=0):  -5.1227     alpha+bet : -8.9779

 Fermi energy:         3.1545819067

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8880      1.00000
      2      -9.9572      1.00000
      3      -8.6045      1.00000
      4      -6.7747      1.00000
      5      -4.3342      1.00000
      6      -1.5913      1.00000
      7       1.6251      1.00000
      8       4.6105     -0.00000
      9       5.4016     -0.00000
     10       7.9238     -0.00000
     11       7.9781     -0.00000
     12      11.8844      0.00000
     13      12.1805      0.00000
     14      16.0613      0.00000
     15      16.0654      0.00000
     16      16.0719      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7575      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7584      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7701      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5899      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5902      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5914      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8117      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8115      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8114      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6207      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6213      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8134     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0332      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0329      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8134     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6993      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0336      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0429      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0446      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8254      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8295      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8243      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8493      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8422      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8550      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6763      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6766      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6767      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2287     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2289     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2308     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8666      1.00000
      2      -0.8644      1.00000
      3      -0.8367      1.00000
      4      -0.0015      1.00000
      5       0.0937      1.00000
      6       0.0971      1.00000
      7       1.1095      1.00000
      8       1.1136      1.00000
      9       1.8014      1.00000
     10       2.6667      1.00152
     11       4.0808     -0.00000
     12       4.0815     -0.00000
     13       5.9815     -0.00000
     14       5.9866     -0.00000
     15       6.0680     -0.00000
     16       8.0122     -0.00000
 Fermi energy:         3.1545819067

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8880      1.00000
      2      -9.9572      1.00000
      3      -8.6045      1.00000
      4      -6.7747      1.00000
      5      -4.3342      1.00000
      6      -1.5913      1.00000
      7       1.6251      1.00000
      8       4.6105     -0.00000
      9       5.4016     -0.00000
     10       7.9238     -0.00000
     11       7.9780     -0.00000
     12      11.8844      0.00000
     13      12.1805      0.00000
     14      16.0614      0.00000
     15      16.0643      0.00000
     16      16.0721      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6796      1.00000
      2      -9.7481      1.00000
      3      -8.3944      1.00000
      4      -6.5628      1.00000
      5      -4.1183      1.00000
      6      -1.3812      1.00000
      7       1.8386      1.00000
      8       4.7936     -0.00000
      9       5.5760     -0.00000
     10       8.0918     -0.00000
     11       8.1432     -0.00000
     12      12.0145      0.00000
     13      12.2756      0.00000
     14      13.1249      0.00000
     15      13.8801      0.00000
     16      14.3256      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7619      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7576      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0542      1.00000
      2      -9.1206      1.00000
      3      -7.7636      1.00000
      4      -5.9274      1.00000
      5      -3.4716      1.00000
      6      -0.7521      1.00000
      7       2.4646      1.00001
      8       5.3262     -0.00000
      9       6.0939     -0.00000
     10       8.4747     -0.00000
     11       8.6198      0.00000
     12       9.7301      0.00000
     13      10.2997      0.00000
     14      11.3915      0.00000
     15      12.4969      0.00000
     16      12.7584      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5900      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5911      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0111      1.00000
      2      -8.0736      1.00000
      3      -6.7112      1.00000
      4      -4.8682      1.00000
      5      -2.3999      1.00000
      6       0.2855      1.00000
      7       3.4211     -0.03395
      8       5.6449     -0.00000
      9       6.5336     -0.00000
     10       6.8914     -0.00000
     11       7.0410     -0.00000
     12       8.0788     -0.00000
     13       9.3936      0.00000
     14       9.5709      0.00000
     15       9.7988      0.00000
     16      11.5904      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8115      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8119      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5486      1.00000
      2      -6.6048      1.00000
      3      -5.2355      1.00000
      4      -3.3891      1.00000
      5      -0.9338      1.00000
      6       1.5773      1.00000
      7       2.5476      1.00007
      8       3.5547     -0.00800
      9       4.8174     -0.00000
     10       5.1384     -0.00000
     11       6.5084     -0.00000
     12       7.6339     -0.00000
     13       8.2038     -0.00000
     14       8.7121      0.00000
     15      10.5097      0.00000
     16      10.8117      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6626      1.00000
      2      -4.7118      1.00000
      3      -3.3415      1.00000
      4      -1.5344      1.00000
      5      -0.6676      1.00000
      6       0.1451      1.00000
      7       1.1220      1.00000
      8       2.0293      1.00000
      9       3.6371     -0.00170
     10       3.7389     -0.00015
     11       5.9329     -0.00000
     12       6.7127     -0.00000
     13       8.2337     -0.00000
     14       9.1809      0.00000
     15       9.7428      0.00000
     16      10.4036      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3621      1.00000
      2      -3.3452      1.00000
      3      -2.4091      1.00000
      4      -2.4071      1.00000
      5      -1.2763      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3670      1.00000
      9       3.3845     -0.03450
     10       3.5273     -0.01222
     11       5.6715     -0.00000
     12       6.0171     -0.00000
     13       8.4124     -0.00000
     14       8.8630      0.00000
     15      10.2361      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6210      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6206      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2627      1.00000
      2      -9.3298      1.00000
      3      -7.9739      1.00000
      4      -6.1392      1.00000
      5      -3.6870      1.00000
      6      -0.9616      1.00000
      7       2.2587      1.00000
      8       5.1531     -0.00000
      9       5.9227     -0.00000
     10       8.4167     -0.00000
     11       8.4520     -0.00000
     12      11.4278      0.00000
     13      11.4441      0.00000
     14      11.9040      0.00000
     15      12.0452      0.00000
     16      12.6299      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4285      1.00000
      2      -8.4926      1.00000
      3      -7.1324      1.00000
      4      -5.2918      1.00000
      5      -2.8273      1.00000
      6      -0.1265      1.00000
      7       3.0637      0.84475
      8       5.8078     -0.00000
      9       6.5914     -0.00000
     10       7.8576     -0.00000
     11       8.6156      0.00000
     12       8.9970      0.00000
     13       9.4148      0.00000
     14       9.8508      0.00000
     15      10.1832      0.00000
     16      10.7435      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0325      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0370      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1759      1.00000
      2      -7.2349      1.00000
      3      -5.8683      1.00000
      4      -4.0218      1.00000
      5      -1.5525      1.00000
      6       1.0917      1.00000
      7       3.8133     -0.00002
      8       4.6904     -0.00000
      9       5.4327     -0.00000
     10       6.5210     -0.00000
     11       7.0720     -0.00000
     12       7.6873     -0.00000
     13       8.1698     -0.00000
     14       8.8968      0.00000
     15       9.6222      0.00000
     16      10.0326      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99222
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99222
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99222
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99222
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5019      1.00000
      2      -5.5539      1.00000
      3      -4.1818      1.00000
      4      -2.3423      1.00000
      5       0.0179      1.00000
      6       1.0040      1.00000
      7       2.0014      1.00000
      8       2.9929      0.99223
      9       3.5356     -0.01078
     10       5.1814     -0.00000
     11       5.9064     -0.00000
     12       7.3280     -0.00000
     13       7.9828     -0.00000
     14       8.6402      0.00000
     15       9.0954      0.00000
     16       9.1447      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6993      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4033      1.00000
      2      -3.4516      1.00000
      3      -2.0981      1.00000
      4      -1.8918      1.00000
      5      -1.0123      1.00000
      6      -0.3633      1.00000
      7       0.6497      1.00000
      8       2.2812      1.00000
      9       2.6590      1.00126
     10       4.7398     -0.00000
     11       4.8978     -0.00000
     12       7.0257     -0.00000
     13       7.4921     -0.00000
     14       8.0218     -0.00000
     15       8.8674      0.00000
     16       9.6994      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0346      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0367      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3850      1.00000
      2      -7.4448      1.00000
      3      -6.0792      1.00000
      4      -4.2332      1.00000
      5      -1.7622      1.00000
      6       0.8998      1.00000
      7       3.9607     -0.00000
      8       6.0181     -0.00000
      9       6.4988     -0.00000
     10       7.2413     -0.00000
     11       7.3135     -0.00000
     12       7.5213     -0.00000
     13       7.5948     -0.00000
     14       8.3925     -0.00000
     15       8.7525      0.00000
     16      10.0363      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9215      1.00000
      2      -5.9752      1.00000
      3      -4.6035      1.00000
      4      -2.7574      1.00000
      5      -0.3136      1.00000
      6       2.1625      1.00000
      7       3.1366      0.58141
      8       4.1291     -0.00000
      9       5.0916     -0.00000
     10       5.3718     -0.00000
     11       5.9195     -0.00000
     12       6.4988     -0.00000
     13       7.0120     -0.00000
     14       7.7632     -0.00000
     15       8.3987     -0.00000
     16       8.7480      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8330      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8224      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8297      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8366      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8318      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0346      1.00000
      2      -4.0826      1.00000
      3      -2.7131      1.00000
      4      -0.9163      1.00000
      5      -0.0511      1.00000
      6       0.7471      1.00000
      7       1.7127      1.00000
      8       2.6011      1.00032
      9       4.0705     -0.00000
     10       4.2590     -0.00000
     11       4.8688     -0.00000
     12       5.7504     -0.00000
     13       6.6320     -0.00000
     14       7.4073     -0.00000
     15       7.5287     -0.00000
     16       8.8538      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7364      1.00000
      2      -2.7191      1.00000
      3      -1.7952      1.00000
      4      -1.7750      1.00000
      5      -0.6620      1.00000
      6      -0.2756      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7797     -0.00005
     10       3.8992     -0.00000
     11       4.7269     -0.00000
     12       5.7725     -0.00000
     13       6.3909     -0.00000
     14       6.7596     -0.00000
     15       7.1371     -0.00000
     16       8.6650      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6764      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6763      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2452      1.00000
      2      -4.2935      1.00000
      3      -2.9212      1.00000
      4      -1.0994      1.00000
      5       1.1528      1.00000
      6       2.1035      1.00000
      7       2.2673      1.00000
      8       3.0075      0.97223
      9       3.4730     -0.02338
     10       4.2406     -0.00000
     11       4.4927     -0.00000
     12       4.8649     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2526     -0.00000
     16       8.6764      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2288     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2290     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2289     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1473      1.00000
      2      -2.1989      1.00000
      3      -0.8610      1.00000
      4      -0.6457      1.00000
      5       0.2106      1.00000
      6       0.8195      1.00000
      7       1.7591      1.00000
      8       1.8369      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39952
     11       4.1315     -0.00000
     12       4.6647     -0.00000
     13       6.0470     -0.00000
     14       6.1444     -0.00000
     15       6.3604     -0.00000
     16       8.2289     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8666      1.00000
      2      -0.8644      1.00000
      3      -0.8367      1.00000
      4      -0.0015      1.00000
      5       0.0937      1.00000
      6       0.0971      1.00000
      7       1.1095      1.00000
      8       1.1136      1.00000
      9       1.8014      1.00000
     10       2.6667      1.00152
     11       4.0808     -0.00000
     12       4.0815     -0.00000
     13       5.9815     -0.00000
     14       5.9866     -0.00000
     15       6.0680     -0.00000
     16       8.0126     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.944 -61.926   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.926  33.075  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.149   0.071   0.000   1.700  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.0091: real time    427.0665
    FORNL :  cpu time      0.4994: real time      0.5054
    FORCOR:  cpu time      1.9535: real time      1.9654
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.177E-05 0.146E-05 0.182E+03   0.425E-13 0.281E-13 -.181E+03   -.214E-05 -.129E-05 -.107E+01
   0.711E-06 -.565E-06 0.923E+02   0.231E-14 0.101E-14 -.922E+02   -.407E-06 0.394E-06 -.860E-01
   -.698E-06 0.109E-06 -.157E+00   -.147E-12 -.791E-13 0.155E+00   0.658E-06 0.473E-07 0.142E-01
   0.178E-07 -.118E-05 -.924E+02   0.139E-12 0.808E-13 0.923E+02   0.190E-06 0.123E-05 0.108E+00
   -.945E-08 0.851E-06 -.181E+03   -.464E-13 -.277E-13 0.180E+03   0.446E-07 -.940E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.102E-05 0.215E-06 0.113E-01   -.971E-14 0.313E-14 0.000E+00   -.166E-05 -.555E-06 -.205E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.036279
      0.00000      0.00000      2.36968         0.000000     -0.000000     -0.012626
      1.42873      0.82488      4.68384         0.000000      0.000000      0.009286
      2.85746      1.64976      7.00079         0.000000     -0.000000      0.025085
      0.00000      0.00000      9.37841        -0.000000     -0.000000      0.014534
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000      0.009028


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90440126 eV

  energy  without entropy=      -13.89783654  energy(sigma->0) =      -13.90221302
 
 d Force =-0.2010626E-05[-0.319E-05,-0.833E-06]  d Energy = 0.3144145E-05-0.515E-05
 d Force =-0.3356082E-02[-0.336E-02,-0.335E-02]  d Ewald  =-0.3356082E-02-0.284E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9512: real time      1.9627


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.524E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.5141
 eigenvalue spectrum of G is  0.5141  0.5141


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0802
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0842: real time      0.0850
    POTLOK:  cpu time      1.9512: real time      1.9635
    EDDIAG:  cpu time    590.0632: real time    595.0621
    CHARGE:  cpu time      0.2684: real time      0.2705
 writing wavefunctions
     LOOP+:  cpu time   5170.5254: real time   5214.5815


--------------------------------------- Iteration     56(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7238: real time      0.7301
    SETDIJ:  cpu time      1.2306: real time      1.2361
    TRIAL :  cpu time    594.2001: real time    599.2950
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    596.4380: real time    601.5479

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4970208E-03  (-0.1891647E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009824 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.92697806
  -exchange      EXHF   =        33.25150589
  -V(xc)+E(xc)   XCENC  =       -83.55361613
  PAW double counting   =    101003.41142727  -100902.45214880
  entropy T*S    EENTRO =        -0.00654363
  eigenvalues    EBANDS =       -34.71815640
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389722 eV

  energy without entropy =      -13.89735359  energy(sigma->0) =      -13.90171601
  exchange ACFDT corr.  =        -0.00586094  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2291: real time      1.2345
    TRIAL :  cpu time    592.0084: real time    597.0424
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2693: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.2335: real time    599.2810

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4142086E-05  (-0.1197062E-02)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009813 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.35130683
  -exchange      EXHF   =        33.24987361
  -V(xc)+E(xc)   XCENC  =       -83.55422009
  PAW double counting   =    100996.10714858  -100895.14783246
  entropy T*S    EENTRO =        -0.00653010
  eigenvalues    EBANDS =       -35.29167501
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90389307 eV

  energy without entropy =      -13.89736298  energy(sigma->0) =      -13.90171638
  exchange ACFDT corr.  =        -0.00582316  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2298: real time      1.2351
    TRIAL :  cpu time    592.6070: real time    597.6661
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    594.8323: real time    599.9050

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4209550E-03  (-0.8048862E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0009808 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.21020774
  -exchange      EXHF   =        33.24940412
  -V(xc)+E(xc)   XCENC  =       -83.55439479
  PAW double counting   =    100994.83796174  -100893.87863170
  entropy T*S    EENTRO =        -0.00655109
  eigenvalues    EBANDS =       -35.43257832
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90431403 eV

  energy without entropy =      -13.89776294  energy(sigma->0) =      -13.90213033
  exchange ACFDT corr.  =        -0.00581335  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    593.8233: real time    598.8886
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    596.0483: real time    601.1274

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2252910E-04  (-0.2479130E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009806 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.46462269
  -exchange      EXHF   =        33.24999179
  -V(xc)+E(xc)   XCENC  =       -83.55418330
  PAW double counting   =    100998.35287760  -100897.39354304
  entropy T*S    EENTRO =        -0.00656160
  eigenvalues    EBANDS =       -35.17896858
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433656 eV

  energy without entropy =      -13.89777496  energy(sigma->0) =      -13.90214936
  exchange ACFDT corr.  =        -0.00582855  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7295
    SETDIJ:  cpu time      1.2374: real time      1.2428
    TRIAL :  cpu time    591.5900: real time    596.6542
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2684: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    593.8242: real time    598.9022

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1884777E-04  (-0.1760522E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009806 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.59573033
  -exchange      EXHF   =        33.25031493
  -V(xc)+E(xc)   XCENC  =       -83.55406744
  PAW double counting   =    100999.98221603  -100899.02289836
  entropy T*S    EENTRO =        -0.00655295
  eigenvalues    EBANDS =       -35.04825367
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90431771 eV

  energy without entropy =      -13.89776476  energy(sigma->0) =      -13.90213339
  exchange ACFDT corr.  =        -0.00583637  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2348: real time      1.2406
    TRIAL :  cpu time    591.3156: real time    596.3865
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.5473: real time    598.6323

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7711363E-04  (-0.1402187E-06)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009807 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.49802635
  -exchange      EXHF   =        33.25006926
  -V(xc)+E(xc)   XCENC  =       -83.55416023
  PAW double counting   =    100998.65977621  -100897.70044594
  entropy T*S    EENTRO =        -0.00654471
  eigenvalues    EBANDS =       -35.14571757
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439482 eV

  energy without entropy =      -13.89785011  energy(sigma->0) =      -13.90221325
  exchange ACFDT corr.  =        -0.00582998  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7298
    SETDIJ:  cpu time      1.2361: real time      1.2415
    TRIAL :  cpu time    590.3281: real time    595.3735
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    592.5619: real time    597.6210

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1026249E-04  (-0.4288871E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009809 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.40406736
  -exchange      EXHF   =        33.24984422
  -V(xc)+E(xc)   XCENC  =       -83.55424411
  PAW double counting   =    100997.37335299  -100896.41401504
  entropy T*S    EENTRO =        -0.00654733
  eigenvalues    EBANDS =       -35.23937330
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438456 eV

  energy without entropy =      -13.89783723  energy(sigma->0) =      -13.90220212
  exchange ACFDT corr.  =        -0.00582399  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7296
    SETDIJ:  cpu time      1.2294: real time      1.2347
    TRIAL :  cpu time    592.6607: real time    597.7314
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2679: real time      0.2701
    --------------------------------------------
      LOOP:  cpu time    594.8860: real time    599.9703

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4046859E-05  (-0.2197669E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009809 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.43161288
  -exchange      EXHF   =        33.24994546
  -V(xc)+E(xc)   XCENC  =       -83.55420638
  PAW double counting   =    100997.69141064  -100896.73207953
  entropy T*S    EENTRO =        -0.00655269
  eigenvalues    EBANDS =       -35.21196134
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438861 eV

  energy without entropy =      -13.89783592  energy(sigma->0) =      -13.90220438
  exchange ACFDT corr.  =        -0.00582594  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     56(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2295: real time      1.2353
    TRIAL :  cpu time    591.2042: real time    596.2736
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    587.8350: real time    592.7837
    CHARGE:  cpu time      0.2677: real time      0.2698
    --------------------------------------------
      LOOP:  cpu time   1181.2638: real time   1191.2960

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9056719E-05  ( 0.5797987E-06)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009808 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.50927850
  -Hartree energ DENC   =      -699.48987304
  -exchange      EXHF   =        33.25012806
  -V(xc)+E(xc)   XCENC  =       -83.55414141
  PAW double counting   =    100998.54912491  -100897.58979268
  entropy T*S    EENTRO =        -0.00655297
  eigenvalues    EBANDS =       -35.15394508
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439767 eV

  energy without entropy =      -13.89784470  energy(sigma->0) =      -13.90221334
  exchange ACFDT corr.  =        -0.00582984  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9204


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8953       2 -69.7702       3 -69.7645       4 -69.7763       5 -69.9031
 
 
 
 E-fermi :   3.1543     XC(G=0):  -5.1226     alpha+bet : -8.9779

 Fermi energy:         3.1542629405

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8870      1.00000
      2      -9.9568      1.00000
      3      -8.6041      1.00000
      4      -6.7739      1.00000
      5      -4.3337      1.00000
      6      -1.5907      1.00000
      7       1.6254      1.00000
      8       4.6108     -0.00000
      9       5.4010     -0.00000
     10       7.9233     -0.00000
     11       7.9781     -0.00000
     12      11.8844      0.00000
     13      12.1803      0.00000
     14      16.0625      0.00000
     15      16.0665      0.00000
     16      16.0730      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5620      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5620      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5620      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7578      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7587      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7698      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5905      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5908      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5918      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8116      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8114      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8112      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6214      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6215      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8141     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0327      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0333      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0331      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8141     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0338      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0427      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0445      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8261      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8297      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8250      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8493      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8426      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8553      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97272
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6768      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97273
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6771      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97272
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6772      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39908
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2291     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39908
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2309     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8652      1.00000
      2      -0.8636      1.00000
      3      -0.8356      1.00000
      4      -0.0009      1.00000
      5       0.0944      1.00000
      6       0.0970      1.00000
      7       1.1107      1.00000
      8       1.1133      1.00000
      9       1.8018      1.00000
     10       2.6675      1.00153
     11       4.0799     -0.00000
     12       4.0840     -0.00000
     13       5.9816     -0.00000
     14       5.9876     -0.00000
     15       6.0686     -0.00000
     16       8.0127     -0.00000
 Fermi energy:         3.1542629405

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8870      1.00000
      2      -9.9568      1.00000
      3      -8.6041      1.00000
      4      -6.7739      1.00000
      5      -4.3337      1.00000
      6      -1.5907      1.00000
      7       1.6254      1.00000
      8       4.6108     -0.00000
      9       5.4010     -0.00000
     10       7.9233     -0.00000
     11       7.9781     -0.00000
     12      11.8844      0.00000
     13      12.1803      0.00000
     14      16.0626      0.00000
     15      16.0653      0.00000
     16      16.0730      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5621      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5621      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6785      1.00000
      2      -9.7477      1.00000
      3      -8.3939      1.00000
      4      -6.5621      1.00000
      5      -4.1178      1.00000
      6      -1.3807      1.00000
      7       1.8389      1.00000
      8       4.7938     -0.00000
      9       5.5754     -0.00000
     10       8.0913     -0.00000
     11       8.1433     -0.00000
     12      12.0145      0.00000
     13      12.2755      0.00000
     14      13.1259      0.00000
     15      13.8805      0.00000
     16      14.3267      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7619      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7580      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0531      1.00000
      2      -9.1202      1.00000
      3      -7.7632      1.00000
      4      -5.9266      1.00000
      5      -3.4711      1.00000
      6      -0.7516      1.00000
      7       2.4649      1.00001
      8       5.3264     -0.00000
      9       6.0933     -0.00000
     10       8.4746     -0.00000
     11       8.6196      0.00000
     12       9.7311      0.00000
     13      10.3001      0.00000
     14      11.3919      0.00000
     15      12.4970      0.00000
     16      12.7586      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5906      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5916      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0101      1.00000
      2      -8.0732      1.00000
      3      -6.7108      1.00000
      4      -4.8674      1.00000
      5      -2.3993      1.00000
      6       0.2861      1.00000
      7       3.4215     -0.03394
      8       5.6456     -0.00000
      9       6.5340     -0.00000
     10       6.8918     -0.00000
     11       7.0405     -0.00000
     12       8.0792     -0.00000
     13       9.3936      0.00000
     14       9.5711      0.00000
     15       9.7991      0.00000
     16      11.5909      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8114      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8118      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5475      1.00000
      2      -6.6044      1.00000
      3      -5.2351      1.00000
      4      -3.3883      1.00000
      5      -0.9332      1.00000
      6       1.5779      1.00000
      7       2.5485      1.00007
      8       3.5551     -0.00805
      9       4.8177     -0.00000
     10       5.1388     -0.00000
     11       6.5092     -0.00000
     12       7.6342     -0.00000
     13       8.2032     -0.00000
     14       8.7127      0.00000
     15      10.5096      0.00000
     16      10.8115      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6615      1.00000
      2      -4.7114      1.00000
      3      -3.3411      1.00000
      4      -1.5336      1.00000
      5      -0.6665      1.00000
      6       0.1455      1.00000
      7       1.1225      1.00000
      8       2.0297      1.00000
      9       3.6378     -0.00169
     10       3.7396     -0.00015
     11       5.9334     -0.00000
     12       6.7130     -0.00000
     13       8.2342     -0.00000
     14       9.1812      0.00000
     15       9.7422      0.00000
     16      10.4047      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3611      1.00000
      2      -3.3441      1.00000
      3      -2.4088      1.00000
      4      -2.4066      1.00000
      5      -1.2758      1.00000
      6      -0.8881      1.00000
      7       0.6255      1.00000
      8       1.3678      1.00000
      9       3.3850     -0.03452
     10       3.5279     -0.01224
     11       5.6721     -0.00000
     12       6.0177     -0.00000
     13       8.4126     -0.00000
     14       8.8633      0.00000
     15      10.2372      0.00000
     16      10.5327      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6213      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6210      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2616      1.00000
      2      -9.3294      1.00000
      3      -7.9735      1.00000
      4      -6.1384      1.00000
      5      -3.6864      1.00000
      6      -0.9610      1.00000
      7       2.2591      1.00000
      8       5.1534     -0.00000
      9       5.9221     -0.00000
     10       8.4162     -0.00000
     11       8.4521     -0.00000
     12      11.4290      0.00000
     13      11.4451      0.00000
     14      11.9043      0.00000
     15      12.0453      0.00000
     16      12.6297      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4274      1.00000
      2      -8.4922      1.00000
      3      -7.1319      1.00000
      4      -5.2910      1.00000
      5      -2.8268      1.00000
      6      -0.1260      1.00000
      7       3.0641      0.84449
      8       5.8081     -0.00000
      9       6.5908     -0.00000
     10       7.8584     -0.00000
     11       8.6160      0.00000
     12       8.9969      0.00000
     13       9.4148      0.00000
     14       9.8512      0.00000
     15      10.1842      0.00000
     16      10.7439      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0327      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0363      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1749      1.00000
      2      -7.2345      1.00000
      3      -5.8679      1.00000
      4      -4.0210      1.00000
      5      -1.5520      1.00000
      6       1.0923      1.00000
      7       3.8140     -0.00002
      8       4.6910     -0.00000
      9       5.4330     -0.00000
     10       6.5215     -0.00000
     11       7.0723     -0.00000
     12       7.6868     -0.00000
     13       8.1705     -0.00000
     14       8.8977      0.00000
     15       9.6227      0.00000
     16      10.0328      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5009      1.00000
      2      -5.5535      1.00000
      3      -4.1814      1.00000
      4      -2.3415      1.00000
      5       0.0185      1.00000
      6       1.0050      1.00000
      7       2.0019      1.00000
      8       2.9934      0.99222
      9       3.5361     -0.01081
     10       5.1822     -0.00000
     11       5.9068     -0.00000
     12       7.3286     -0.00000
     13       7.9834     -0.00000
     14       8.6407      0.00000
     15       9.0949      0.00000
     16       9.1451      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4023      1.00000
      2      -3.4513      1.00000
      3      -2.0977      1.00000
      4      -1.8908      1.00000
      5      -1.0119      1.00000
      6      -0.3626      1.00000
      7       0.6502      1.00000
      8       2.2818      1.00000
      9       2.6597      1.00126
     10       4.7403     -0.00000
     11       4.8984     -0.00000
     12       7.0263     -0.00000
     13       7.4926     -0.00000
     14       8.0223     -0.00000
     15       8.8678      0.00000
     16       9.6997      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0347      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0367      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3839      1.00000
      2      -7.4444      1.00000
      3      -6.0788      1.00000
      4      -4.2324      1.00000
      5      -1.7617      1.00000
      6       0.9004      1.00000
      7       3.9611     -0.00000
      8       6.0188     -0.00000
      9       6.4995     -0.00000
     10       7.2418     -0.00000
     11       7.3141     -0.00000
     12       7.5215     -0.00000
     13       7.5943     -0.00000
     14       8.3928     -0.00000
     15       8.7530      0.00000
     16      10.0364      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9204      1.00000
      2      -5.9748      1.00000
      3      -4.6031      1.00000
      4      -2.7566      1.00000
      5      -0.3130      1.00000
      6       2.1631      1.00000
      7       3.1376      0.58196
      8       4.1294     -0.00000
      9       5.0924     -0.00000
     10       5.3722     -0.00000
     11       5.9200     -0.00000
     12       6.4993     -0.00000
     13       7.0127     -0.00000
     14       7.7637     -0.00000
     15       8.3991     -0.00000
     16       8.7474      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8334      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8232      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8300      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8366      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8321      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0336      1.00000
      2      -4.0822      1.00000
      3      -2.7127      1.00000
      4      -0.9155      1.00000
      5      -0.0500      1.00000
      6       0.7475      1.00000
      7       1.7132      1.00000
      8       2.6015      1.00032
      9       4.0710     -0.00000
     10       4.2598     -0.00000
     11       4.8697     -0.00000
     12       5.7508     -0.00000
     13       6.6323     -0.00000
     14       7.4077     -0.00000
     15       7.5291     -0.00000
     16       8.8539      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7353      1.00000
      2      -2.7181      1.00000
      3      -1.7947      1.00000
      4      -1.7747      1.00000
      5      -0.6615      1.00000
      6      -0.2752      1.00000
      7       1.2259      1.00000
      8       1.9607      1.00000
      9       3.7801     -0.00005
     10       3.9000     -0.00000
     11       4.7277     -0.00000
     12       5.7729     -0.00000
     13       6.3913     -0.00000
     14       6.7600     -0.00000
     15       7.1376     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97273
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6769      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97273
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6768      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2442      1.00000
      2      -4.2931      1.00000
      3      -2.9208      1.00000
      4      -1.0986      1.00000
      5       1.1535      1.00000
      6       2.1046      1.00000
      7       2.2682      1.00000
      8       3.0080      0.97272
      9       3.4733     -0.02348
     10       4.2410     -0.00000
     11       4.4933     -0.00000
     12       4.8653     -0.00000
     13       6.1979     -0.00000
     14       6.8401     -0.00000
     15       7.2530     -0.00000
     16       8.6769      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2292     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1462      1.00000
      2      -2.1985      1.00000
      3      -0.8606      1.00000
      4      -0.6446      1.00000
      5       0.2110      1.00000
      6       0.8202      1.00000
      7       1.7600      1.00000
      8       1.8375      1.00000
      9       2.5834      1.00020
     10       3.1791      0.39909
     11       4.1321     -0.00000
     12       4.6652     -0.00000
     13       6.0474     -0.00000
     14       6.1451     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8652      1.00000
      2      -0.8636      1.00000
      3      -0.8356      1.00000
      4      -0.0009      1.00000
      5       0.0944      1.00000
      6       0.0970      1.00000
      7       1.1107      1.00000
      8       1.1133      1.00000
      9       1.8018      1.00000
     10       2.6675      1.00153
     11       4.0799     -0.00000
     12       4.0840     -0.00000
     13       5.9816     -0.00000
     14       5.9876     -0.00000
     15       6.0686     -0.00000
     16       8.0130     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.948 -61.928  -0.000  -0.148  -0.000   0.000  -0.011   0.000
-61.928  33.076   0.000   0.070   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.148   0.070  -0.000   1.701   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.008   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.1820: real time    428.2360
    FORNL :  cpu time      0.4989: real time      0.5048
    FORCOR:  cpu time      1.9513: real time      1.9634
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.283E-05 -.208E-05 0.182E+03   0.405E-13 0.265E-13 -.181E+03   -.331E-05 0.213E-05 -.107E+01
   0.171E-05 -.640E-07 0.922E+02   0.716E-14 0.600E-14 -.922E+02   -.175E-05 -.124E-08 -.822E-01
   0.106E-05 -.992E-06 -.182E+00   -.154E-12 -.899E-13 0.164E+00   -.127E-05 0.869E-06 0.162E-01
   0.804E-06 0.887E-06 -.924E+02   0.135E-12 0.847E-13 0.923E+02   -.477E-06 -.970E-06 0.107E+00
   0.590E-06 -.470E-06 -.181E+03   -.388E-13 -.242E-13 0.180E+03   -.487E-06 0.542E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.584E-05 -.372E-05 -.232E-01   -.971E-14 0.313E-14 -.853E-13   -.730E-05 0.257E-05 0.273E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.020053
      0.00000      0.00000      2.36926        -0.000000     -0.000000     -0.003852
      1.42873      0.82488      4.68347        -0.000001     -0.000000      0.001340
      2.85746      1.64976      7.00066         0.000001      0.000000      0.008893
      0.00000      0.00000      9.37827        -0.000000     -0.000000      0.013672
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002     -0.000001     -0.020273


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439767 eV

  energy  without entropy=      -13.89784470  energy(sigma->0) =      -13.90221334
 
 d Force =-0.2787916E-05[-0.198E-05,-0.359E-05]  d Energy =-0.3598601E-05 0.811E-06
 d Force = 0.1106310E-02[ 0.110E-02, 0.111E-02]  d Ewald  = 0.1106310E-02 0.289E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9509: real time      1.9627


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.136E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.0827
 eigenvalue spectrum of G is  0.0827


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0820
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9492: real time      1.9618
    EDDIAG:  cpu time    589.2334: real time    594.2399
    CHARGE:  cpu time      0.2690: real time      0.2712
 writing wavefunctions
     LOOP+:  cpu time   6959.7033: real time   7018.6707


--------------------------------------- Iteration     57(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7254: real time      0.7316
    SETDIJ:  cpu time      1.2300: real time      1.2354
    TRIAL :  cpu time    591.2891: real time    596.3797
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2677: real time      0.2699
    --------------------------------------------
      LOOP:  cpu time    593.5260: real time    598.6313

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1201011E-02  (-0.5171628E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009832 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.03649589
  -exchange      EXHF   =        33.24849270
  -V(xc)+E(xc)   XCENC  =       -83.55473549
  PAW double counting   =    100991.71044068  -100890.75104975
  entropy T*S    EENTRO =        -0.00655179
  eigenvalues    EBANDS =       -35.48671867
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90318760 eV

  energy without entropy =      -13.89663581  energy(sigma->0) =      -13.90100367
  exchange ACFDT corr.  =        -0.00579785  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2313: real time      1.2371
    TRIAL :  cpu time    590.5243: real time    595.6081
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    592.7527: real time    597.8505

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4328635E-03  (-0.4072367E-02)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0009843 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.44309780
  -exchange      EXHF   =        33.24955623
  -V(xc)+E(xc)   XCENC  =       -83.55434144
  PAW double counting   =    100996.74736463  -100895.78800169
  entropy T*S    EENTRO =        -0.00656229
  eigenvalues    EBANDS =       -35.08107647
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90275473 eV

  energy without entropy =      -13.89619245  energy(sigma->0) =      -13.90056731
  exchange ACFDT corr.  =        -0.00582390  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2356: real time      1.2412
    TRIAL :  cpu time    588.4811: real time    593.5525
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    590.7135: real time    595.7989

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1519003E-02  ( 0.3147422E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009853 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.52658894
  -exchange      EXHF   =        33.24976867
  -V(xc)+E(xc)   XCENC  =       -83.55425584
  PAW double counting   =    100996.97925608  -100896.01989336
  entropy T*S    EENTRO =        -0.00654649
  eigenvalues    EBANDS =       -34.99939167
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427374 eV

  energy without entropy =      -13.89772725  energy(sigma->0) =      -13.90209157
  exchange ACFDT corr.  =        -0.00583108  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2322: real time      1.2379
    TRIAL :  cpu time    589.5628: real time    594.6186
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    591.7916: real time    596.8615

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7502873E-04  (-0.8273206E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009862 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.34626523
  -exchange      EXHF   =        33.24929466
  -V(xc)+E(xc)   XCENC  =       -83.55442651
  PAW double counting   =    100994.07071186  -100893.11134639
  entropy T*S    EENTRO =        -0.00653837
  eigenvalues    EBANDS =       -35.17901421
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90419871 eV

  energy without entropy =      -13.89766034  energy(sigma->0) =      -13.90201925
  exchange ACFDT corr.  =        -0.00581925  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7290
    SETDIJ:  cpu time      1.2310: real time      1.2368
    TRIAL :  cpu time    591.4737: real time    596.5504
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.7017: real time    598.7924

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2202293E-04  (-0.5241357E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009866 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.25818854
  -exchange      EXHF   =        33.24908027
  -V(xc)+E(xc)   XCENC  =       -83.55450233
  PAW double counting   =    100992.72136112  -100891.76201080
  entropy T*S    EENTRO =        -0.00654397
  eigenvalues    EBANDS =       -35.26677163
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90417669 eV

  energy without entropy =      -13.89763272  energy(sigma->0) =      -13.90199536
  exchange ACFDT corr.  =        -0.00581319  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7291
    SETDIJ:  cpu time      1.2319: real time      1.2373
    TRIAL :  cpu time    590.9101: real time    595.9628
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.1381: real time    598.2054

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2185211E-03  ( 0.1429036E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009868 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.32589673
  -exchange      EXHF   =        33.24927159
  -V(xc)+E(xc)   XCENC  =       -83.55442877
  PAW double counting   =    100993.33855605  -100892.37920292
  entropy T*S    EENTRO =        -0.00654911
  eigenvalues    EBANDS =       -35.19954405
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439521 eV

  energy without entropy =      -13.89784610  energy(sigma->0) =      -13.90221217
  exchange ACFDT corr.  =        -0.00581722  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7294
    SETDIJ:  cpu time      1.2328: real time      1.2386
    TRIAL :  cpu time    589.0691: real time    594.1111
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time    591.2980: real time    596.3542

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2895393E-04  (-0.1348724E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009868 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.39374760
  -exchange      EXHF   =        33.24945563
  -V(xc)+E(xc)   XCENC  =       -83.55435912
  PAW double counting   =    100994.27747150  -100893.31812155
  entropy T*S    EENTRO =        -0.00654697
  eigenvalues    EBANDS =       -35.13190960
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436625 eV

  energy without entropy =      -13.89781928  energy(sigma->0) =      -13.90218393
  exchange ACFDT corr.  =        -0.00582092  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7297
    SETDIJ:  cpu time      1.2332: real time      1.2389
    TRIAL :  cpu time    590.9382: real time    595.9836
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.1689: real time    598.2283

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7635943E-05  (-0.6427751E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009866 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.37702693
  -exchange      EXHF   =        33.24940832
  -V(xc)+E(xc)   XCENC  =       -83.55437603
  PAW double counting   =    100994.31857751  -100893.35921926
  entropy T*S    EENTRO =        -0.00654269
  eigenvalues    EBANDS =       -35.14858412
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437389 eV

  energy without entropy =      -13.89783120  energy(sigma->0) =      -13.90219299
  exchange ACFDT corr.  =        -0.00581922  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7286
    SETDIJ:  cpu time      1.2320: real time      1.2378
    TRIAL :  cpu time    590.7110: real time    595.7779
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.9396: real time    598.0206

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2863018E-04  ( 0.1925079E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009864 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.33563556
  -exchange      EXHF   =        33.24928676
  -V(xc)+E(xc)   XCENC  =       -83.55442068
  PAW double counting   =    100994.04770984  -100893.08834406
  entropy T*S    EENTRO =        -0.00654199
  eigenvalues    EBANDS =       -35.18984973
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440252 eV

  energy without entropy =      -13.89786053  energy(sigma->0) =      -13.90222185
  exchange ACFDT corr.  =        -0.00581596  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2302: real time      1.2357
    TRIAL :  cpu time    589.8493: real time    594.9141
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    592.0764: real time    597.1549

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5583555E-05  (-0.2161602E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009862 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.33437756
  -exchange      EXHF   =        33.24927521
  -V(xc)+E(xc)   XCENC  =       -83.55442473
  PAW double counting   =    100994.39073499  -100893.43136613
  entropy T*S    EENTRO =        -0.00654338
  eigenvalues    EBANDS =       -35.19109032
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439694 eV

  energy without entropy =      -13.89785356  energy(sigma->0) =      -13.90221581
  exchange ACFDT corr.  =        -0.00581532  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     57(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7282
    SETDIJ:  cpu time      1.2318: real time      1.2371
    TRIAL :  cpu time    590.7387: real time    595.7782
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.2229: real time    595.2112
    CHARGE:  cpu time      0.2688: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time   1183.1886: real time   1193.2305

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2462533E-05  (-0.7394475E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009860 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.39200935
  -Hartree energ DENC   =      -699.35534892
  -exchange      EXHF   =        33.24933567
  -V(xc)+E(xc)   XCENC  =       -83.55440568
  PAW double counting   =    100995.11569652  -100894.15632490
  entropy T*S    EENTRO =        -0.00654335
  eigenvalues    EBANDS =       -35.17019286
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439940 eV

  energy without entropy =      -13.89785604  energy(sigma->0) =      -13.90221828
  exchange ACFDT corr.  =        -0.00581619  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9843


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8828       2 -69.7638       3 -69.7685       4 -69.7873       5 -69.9137
 
 
 
 E-fermi :   3.1544     XC(G=0):  -5.1228     alpha+bet : -8.9779

 Fermi energy:         3.1543800270

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8891      1.00000
      2      -9.9574      1.00000
      3      -8.6047      1.00000
      4      -6.7749      1.00000
      5      -4.3349      1.00000
      6      -1.5917      1.00000
      7       1.6241      1.00000
      8       4.6102     -0.00000
      9       5.4023     -0.00000
     10       7.9240     -0.00000
     11       7.9782     -0.00000
     12      11.8847      0.00000
     13      12.1803      0.00000
     14      16.0603      0.00000
     15      16.0646      0.00000
     16      16.0710      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1239      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1238      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1239      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7580      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7680      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5893      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5896      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5905      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8115      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8113      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8112      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1219      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1219      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1219      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4074      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3668      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4074      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3667      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4074      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3668      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6210      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6209      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6209      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84635
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0324      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0322      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7523      0.00000
     16      10.0335      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7523      0.00000
     16      10.0426      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7522      0.00000
     16      10.0448      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8248      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8276      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8235      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8474      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8410      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8540      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1971     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6761      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1971     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6763      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1972     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6764      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2283     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2297     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8666      1.00000
      2      -0.8665      1.00000
      3      -0.8376      1.00000
      4      -0.0019      1.00000
      5       0.0954      1.00000
      6       0.0954      1.00000
      7       1.1102      1.00000
      8       1.1121      1.00000
      9       1.8018      1.00000
     10       2.6669      1.00152
     11       4.0743     -0.00000
     12       4.0875     -0.00000
     13       5.9796     -0.00000
     14       5.9879     -0.00000
     15       6.0668     -0.00000
     16       8.0118     -0.00000
 Fermi energy:         3.1543800270

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8891      1.00000
      2      -9.9574      1.00000
      3      -8.6047      1.00000
      4      -6.7749      1.00000
      5      -4.3349      1.00000
      6      -1.5917      1.00000
      7       1.6241      1.00000
      8       4.6102     -0.00000
      9       5.4024     -0.00000
     10       7.9240     -0.00000
     11       7.9782     -0.00000
     12      11.8847      0.00000
     13      12.1803      0.00000
     14      16.0603      0.00000
     15      16.0629      0.00000
     16      16.0711      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1239      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1238      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6806      1.00000
      2      -9.7483      1.00000
      3      -8.3945      1.00000
      4      -6.5631      1.00000
      5      -4.1190      1.00000
      6      -1.3816      1.00000
      7       1.8376      1.00000
      8       4.7933     -0.00000
      9       5.5767     -0.00000
     10       8.0920     -0.00000
     11       8.1434     -0.00000
     12      12.0148      0.00000
     13      12.2755      0.00000
     14      13.1239      0.00000
     15      13.8799      0.00000
     16      14.3246      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7609      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7574      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0552      1.00000
      2      -9.1208      1.00000
      3      -7.7638      1.00000
      4      -5.9276      1.00000
      5      -3.4723      1.00000
      6      -0.7525      1.00000
      7       2.4636      1.00001
      8       5.3259     -0.00000
      9       6.0947     -0.00000
     10       8.4748     -0.00000
     11       8.6200      0.00000
     12       9.7292      0.00000
     13      10.2995      0.00000
     14      11.3913      0.00000
     15      12.4970      0.00000
     16      12.7579      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5894      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5903      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0122      1.00000
      2      -8.0738      1.00000
      3      -6.7113      1.00000
      4      -4.8685      1.00000
      5      -2.4005      1.00000
      6       0.2852      1.00000
      7       3.4202     -0.03401
      8       5.6443     -0.00000
      9       6.5334     -0.00000
     10       6.8910     -0.00000
     11       7.0415     -0.00000
     12       8.0787     -0.00000
     13       9.3939      0.00000
     14       9.5708      0.00000
     15       9.7988      0.00000
     16      11.5897      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8114      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8118      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5496      1.00000
      2      -6.6050      1.00000
      3      -5.2357      1.00000
      4      -3.3893      1.00000
      5      -0.9344      1.00000
      6       1.5769      1.00000
      7       2.5469      1.00007
      8       3.5546     -0.00799
      9       4.8173     -0.00000
     10       5.1372     -0.00000
     11       6.5082     -0.00000
     12       7.6337     -0.00000
     13       8.2045     -0.00000
     14       8.7115      0.00000
     15      10.5099      0.00000
     16      10.8116      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1219      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1218      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6636      1.00000
      2      -4.7119      1.00000
      3      -3.3417      1.00000
      4      -1.5346      1.00000
      5      -0.6686      1.00000
      6       0.1448      1.00000
      7       1.1219      1.00000
      8       2.0291      1.00000
      9       3.6370     -0.00170
     10       3.7384     -0.00015
     11       5.9323     -0.00000
     12       6.7118     -0.00000
     13       8.2333     -0.00000
     14       9.1808      0.00000
     15       9.7436      0.00000
     16      10.4026      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4075      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3668      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4074      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3667      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3631      1.00000
      2      -3.3462      1.00000
      3      -2.4092      1.00000
      4      -2.4075      1.00000
      5      -1.2766      1.00000
      6      -0.8885      1.00000
      7       0.6247      1.00000
      8       1.3668      1.00000
      9       3.3842     -0.03447
     10       3.5264     -0.01229
     11       5.6713     -0.00000
     12       6.0167     -0.00000
     13       8.4115     -0.00000
     14       8.8623      0.00000
     15      10.2351      0.00000
     16      10.5320      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6208      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6207      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2637      1.00000
      2      -9.3300      1.00000
      3      -7.9741      1.00000
      4      -6.1395      1.00000
      5      -3.6876      1.00000
      6      -0.9619      1.00000
      7       2.2577      1.00000
      8       5.1529     -0.00000
      9       5.9235     -0.00000
     10       8.4169     -0.00000
     11       8.4522     -0.00000
     12      11.4269      0.00000
     13      11.4433      0.00000
     14      11.9037      0.00000
     15      12.0451      0.00000
     16      12.6286      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4295      1.00000
      2      -8.4928      1.00000
      3      -7.1325      1.00000
      4      -5.2921      1.00000
      5      -2.8280      1.00000
      6      -0.1269      1.00000
      7       3.0628      0.84636
      8       5.8076     -0.00000
      9       6.5921     -0.00000
     10       7.8570     -0.00000
     11       8.6152      0.00000
     12       8.9971      0.00000
     13       9.4148      0.00000
     14       9.8507      0.00000
     15      10.1824      0.00000
     16      10.7433      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0346      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1770      1.00000
      2      -7.2351      1.00000
      3      -5.8685      1.00000
      4      -4.0221      1.00000
      5      -1.5531      1.00000
      6       1.0914      1.00000
      7       3.8125     -0.00002
      8       4.6898     -0.00000
      9       5.4323     -0.00000
     10       6.5207     -0.00000
     11       7.0719     -0.00000
     12       7.6880     -0.00000
     13       8.1696     -0.00000
     14       8.8961      0.00000
     15       9.6218      0.00000
     16      10.0320      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5030      1.00000
      2      -5.5541      1.00000
      3      -4.1820      1.00000
      4      -2.3425      1.00000
      5       0.0172      1.00000
      6       1.0031      1.00000
      7       2.0014      1.00000
      8       2.9928      0.99224
      9       3.5353     -0.01078
     10       5.1811     -0.00000
     11       5.9056     -0.00000
     12       7.3274     -0.00000
     13       7.9823     -0.00000
     14       8.6399      0.00000
     15       9.0960      0.00000
     16       9.1442      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4043      1.00000
      2      -3.4518      1.00000
      3      -2.0983      1.00000
      4      -1.8928      1.00000
      5      -1.0126      1.00000
      6      -0.3634      1.00000
      7       0.6497      1.00000
      8       2.2811      1.00000
      9       2.6583      1.00126
     10       4.7392     -0.00000
     11       4.8975     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0212     -0.00000
     15       8.8670      0.00000
     16       9.6990      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7523      0.00000
     16      10.0344      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7523      0.00000
     16      10.0364      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3860      1.00000
      2      -7.4450      1.00000
      3      -6.0794      1.00000
      4      -4.2334      1.00000
      5      -1.7629      1.00000
      6       0.8995      1.00000
      7       3.9599     -0.00000
      8       6.0175     -0.00000
      9       6.4982     -0.00000
     10       7.2411     -0.00000
     11       7.3126     -0.00000
     12       7.5214     -0.00000
     13       7.5952     -0.00000
     14       8.3924     -0.00000
     15       8.7522      0.00000
     16      10.0364      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9225      1.00000
      2      -5.9753      1.00000
      3      -4.6036      1.00000
      4      -2.7576      1.00000
      5      -0.3142      1.00000
      6       2.1620      1.00000
      7       3.1359      0.58033
      8       4.1289     -0.00000
      9       5.0908     -0.00000
     10       5.3716     -0.00000
     11       5.9189     -0.00000
     12       6.4984     -0.00000
     13       7.0117     -0.00000
     14       7.7629     -0.00000
     15       8.3987     -0.00000
     16       8.7487      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8316      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8219      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8278      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8343      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8299      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0357      1.00000
      2      -4.0828      1.00000
      3      -2.7132      1.00000
      4      -0.9165      1.00000
      5      -0.0521      1.00000
      6       0.7469      1.00000
      7       1.7125      1.00000
      8       2.6009      1.00032
      9       4.0704     -0.00000
     10       4.2582     -0.00000
     11       4.8681     -0.00000
     12       5.7502     -0.00000
     13       6.6319     -0.00000
     14       7.4070     -0.00000
     15       7.5276     -0.00000
     16       8.8523      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7374      1.00000
      2      -2.7201      1.00000
      3      -1.7955      1.00000
      4      -1.7751      1.00000
      5      -0.6623      1.00000
      6      -0.2757      1.00000
      7       1.2251      1.00000
      8       1.9598      1.00000
      9       3.7794     -0.00005
     10       3.8980     -0.00000
     11       4.7261     -0.00000
     12       5.7725     -0.00000
     13       6.3910     -0.00000
     14       6.7591     -0.00000
     15       7.1368     -0.00000
     16       8.6646      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1972     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6762      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1972     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6761      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2462      1.00000
      2      -4.2937      1.00000
      3      -2.9214      1.00000
      4      -1.0996      1.00000
      5       1.1522      1.00000
      6       2.1025      1.00000
      7       2.2666      1.00000
      8       3.0073      0.97200
      9       3.4732     -0.02337
     10       4.2405     -0.00000
     11       4.4922     -0.00000
     12       4.8647     -0.00000
     13       6.1971     -0.00000
     14       6.8390     -0.00000
     15       7.2517     -0.00000
     16       8.6762      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2283     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39913
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2285     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1483      1.00000
      2      -2.1991      1.00000
      3      -0.8612      1.00000
      4      -0.6466      1.00000
      5       0.2103      1.00000
      6       0.8194      1.00000
      7       1.7583      1.00000
      8       1.8366      1.00000
      9       2.5830      1.00020
     10       3.1785      0.39912
     11       4.1309     -0.00000
     12       4.6646     -0.00000
     13       6.0469     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2284     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8666      1.00000
      2      -0.8665      1.00000
      3      -0.8376      1.00000
      4      -0.0019      1.00000
      5       0.0954      1.00000
      6       0.0954      1.00000
      7       1.1102      1.00000
      8       1.1121      1.00000
      9       1.8018      1.00000
     10       2.6669      1.00152
     11       4.0743     -0.00000
     12       4.0875     -0.00000
     13       5.9796     -0.00000
     14       5.9879     -0.00000
     15       6.0668     -0.00000
     16       8.0122     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.767  23.495  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.880   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006  -0.000
 13.767  23.495   0.000  -0.003   0.000   0.000  -0.010  -0.000
  0.000   0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.880   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.945 -61.926  -0.000  -0.148   0.000   0.000  -0.012  -0.000
-61.926  33.075   0.000   0.070  -0.000  -0.000   0.008   0.000
 -0.000   0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.148   0.070   0.000   1.701   0.000  -0.000  -0.261  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.012   0.008  -0.000  -0.261  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.7188: real time    428.7605
    FORNL :  cpu time      0.5009: real time      0.5069
    FORCOR:  cpu time      1.9586: real time      1.9699
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.244E-05 0.264E-06 0.182E+03   0.404E-13 0.266E-13 -.181E+03   -.282E-05 -.273E-06 -.107E+01
   0.842E-06 0.153E-05 0.922E+02   0.451E-14 0.566E-14 -.922E+02   -.883E-06 -.175E-05 -.824E-01
   0.963E-06 -.716E-06 -.191E+00   -.151E-12 -.895E-13 0.182E+00   -.112E-05 0.710E-06 0.185E-01
   0.249E-06 0.112E-05 -.924E+02   0.140E-12 0.840E-13 0.923E+02   -.412E-06 -.127E-05 0.109E+00
   -.166E-06 0.521E-06 -.181E+03   -.438E-13 -.236E-13 0.180E+03   0.462E-06 -.517E-06 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.413E-05 0.263E-05 -.101E-02   -.971E-14 0.313E-14 0.568E-13   -.477E-05 -.310E-05 0.205E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.028470
      0.00000      0.00000      2.36908        -0.000000     -0.000000     -0.004103
      1.42873      0.82488      4.68316        -0.000001     -0.000000      0.008460
      2.85746      1.64976      7.00063        -0.000000     -0.000000      0.015231
      0.00000      0.00000      9.37885         0.000000      0.000000      0.008882
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001      0.001143


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439940 eV

  energy  without entropy=      -13.89785604  energy(sigma->0) =      -13.90221828
 
 d Force = 0.5319599E-05[ 0.279E-05, 0.785E-05]  d Energy = 0.1732056E-05 0.359E-05
 d Force = 0.1172692E+00[ 0.117E+00, 0.117E+00]  d Ewald  = 0.1172692E+00-0.966E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9572: real time      1.9689


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.193E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.7970
 eigenvalue spectrum of G is  0.7970  0.7970


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0776
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9546: real time      1.9673
    EDDIAG:  cpu time    588.3152: real time    593.2657
    CHARGE:  cpu time      0.2676: real time      0.2698
 writing wavefunctions
     LOOP+:  cpu time   8130.0003: real time   8199.0982


--------------------------------------- Iteration     58(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7303
    SETDIJ:  cpu time      1.2325: real time      1.2379
    TRIAL :  cpu time    589.2288: real time    594.2542
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    591.4682: real time    596.5081

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1397180E-04  (-0.4060182E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009877 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.30559920
  -Hartree energ DENC   =      -699.14604466
  -exchange      EXHF   =        33.24854070
  -V(xc)+E(xc)   XCENC  =       -83.55468613
  PAW double counting   =    100992.05024951  -100891.09083941
  entropy T*S    EENTRO =        -0.00653743
  eigenvalues    EBANDS =       -35.29206325
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438296 eV

  energy without entropy =      -13.89784554  energy(sigma->0) =      -13.90220382
  exchange ACFDT corr.  =        -0.00579844  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     58(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7275
    SETDIJ:  cpu time      1.2316: real time      1.2370
    TRIAL :  cpu time    588.4618: real time    593.4693
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    590.6889: real time    595.7098

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1296423E-04  (-0.6419807E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009885 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.30559920
  -Hartree energ DENC   =      -699.30027395
  -exchange      EXHF   =        33.24891323
  -V(xc)+E(xc)   XCENC  =       -83.55454578
  PAW double counting   =    100993.78391046  -100892.82450961
  entropy T*S    EENTRO =        -0.00654096
  eigenvalues    EBANDS =       -35.13833630
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439593 eV

  energy without entropy =      -13.89785496  energy(sigma->0) =      -13.90221561
  exchange ACFDT corr.  =        -0.00580833  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     58(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    588.6297: real time    593.6464
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    588.5667: real time    593.5307
    CHARGE:  cpu time      0.2681: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time   1179.4228: real time   1189.4174

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1093838E-05  (-0.9517218E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0009894 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.30559920
  -Hartree energ DENC   =      -699.33650735
  -exchange      EXHF   =        33.24878076
  -V(xc)+E(xc)   XCENC  =       -83.55451641
  PAW double counting   =    100993.81953180  -100892.86014341
  entropy T*S    EENTRO =        -0.00653432
  eigenvalues    EBANDS =       -35.10219036
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439702 eV

  energy without entropy =      -13.89786270  energy(sigma->0) =      -13.90221891
  exchange ACFDT corr.  =        -0.00581048  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0500


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8974       2 -69.7634       3 -69.7544       4 -69.7723       5 -69.9065
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1228     alpha+bet : -8.9779

 Fermi energy:         3.1545276617

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8797      1.00000
      2      -9.9536      1.00000
      3      -8.6017      1.00000
      4      -6.7720      1.00000
      5      -4.3324      1.00000
      6      -1.5892      1.00000
      7       1.6256      1.00000
      8       4.6096     -0.00000
      9       5.3969     -0.00000
     10       7.9211     -0.00000
     11       7.9763     -0.00000
     12      11.8831      0.00000
     13      12.1792      0.00000
     14      16.0702      0.00000
     15      16.0739      0.00000
     16      16.0799      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7589      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7596      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7701      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5924      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5927      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5936      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8103      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8100      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8098      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6394     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6393     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6393     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6214      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6212      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6216      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0339      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0337      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0328      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0410      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0431      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8286      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8318      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8275      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8504      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8438      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8562      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6680      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6680      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6680      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6772      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6774      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6775      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2305     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2318     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8577      1.00000
      2      -0.8560      1.00000
      3      -0.8284      1.00000
      4       0.0036      1.00000
      5       0.0970      1.00000
      6       0.1002      1.00000
      7       1.1139      1.00000
      8       1.1171      1.00000
      9       1.8028      1.00000
     10       2.6684      1.00152
     11       4.0814     -0.00000
     12       4.0862     -0.00000
     13       5.9816     -0.00000
     14       5.9889     -0.00000
     15       6.0718     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1545276617

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8797      1.00000
      2      -9.9536      1.00000
      3      -8.6017      1.00000
      4      -6.7720      1.00000
      5      -4.3324      1.00000
      6      -1.5892      1.00000
      7       1.6256      1.00000
      8       4.6096     -0.00000
      9       5.3969     -0.00000
     10       7.9211     -0.00000
     11       7.9763     -0.00000
     12      11.8831      0.00000
     13      12.1792      0.00000
     14      16.0703      0.00000
     15      16.0729      0.00000
     16      16.0799      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6713      1.00000
      2      -9.7445      1.00000
      3      -8.3915      1.00000
      4      -6.5601      1.00000
      5      -4.1164      1.00000
      6      -1.3791      1.00000
      7       1.8391      1.00000
      8       4.7926     -0.00000
      9       5.5713     -0.00000
     10       8.0891     -0.00000
     11       8.1415     -0.00000
     12      12.0134      0.00000
     13      12.2746      0.00000
     14      13.1330      0.00000
     15      13.8837      0.00000
     16      14.3341      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7623      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7591      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0458      1.00000
      2      -9.1169      1.00000
      3      -7.7607      1.00000
      4      -5.9246      1.00000
      5      -3.4697      1.00000
      6      -0.7500      1.00000
      7       2.4651      1.00001
      8       5.3253     -0.00000
      9       6.0893     -0.00000
     10       8.4738     -0.00000
     11       8.6177      0.00000
     12       9.7374      0.00000
     13      10.3030      0.00000
     14      11.3941      0.00000
     15      12.4961      0.00000
     16      12.7594      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5925      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5934      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0028      1.00000
      2      -8.0699      1.00000
      3      -6.7083      1.00000
      4      -4.8655      1.00000
      5      -2.3980      1.00000
      6       0.2877      1.00000
      7       3.4221     -0.03406
      8       5.6493     -0.00000
      9       6.5347     -0.00000
     10       6.8952     -0.00000
     11       7.0376     -0.00000
     12       8.0815     -0.00000
     13       9.3924      0.00000
     14       9.5710      0.00000
     15       9.7992      0.00000
     16      11.5928      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8099      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8102      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5402      1.00000
      2      -6.6011      1.00000
      3      -5.2326      1.00000
      4      -3.3863      1.00000
      5      -0.9317      1.00000
      6       1.5807      1.00000
      7       2.5545      1.00007
      8       3.5580     -0.00796
      9       4.8193     -0.00000
     10       5.1405     -0.00000
     11       6.5112     -0.00000
     12       7.6332     -0.00000
     13       8.1993     -0.00000
     14       8.7142      0.00000
     15      10.5083      0.00000
     16      10.8100      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6393     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6393     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6541      1.00000
      2      -4.7080      1.00000
      3      -3.3385      1.00000
      4      -1.5314      1.00000
      5      -0.6589      1.00000
      6       0.1486      1.00000
      7       1.1240      1.00000
      8       2.0318      1.00000
      9       3.6393     -0.00170
     10       3.7420     -0.00015
     11       5.9348     -0.00000
     12       6.7136     -0.00000
     13       8.2358     -0.00000
     14       9.1804      0.00000
     15       9.7384      0.00000
     16      10.4121      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3536      1.00000
      2      -3.3367      1.00000
      3      -2.4058      1.00000
      4      -2.4028      1.00000
      5      -1.2726      1.00000
      6      -0.8861      1.00000
      7       0.6271      1.00000
      8       1.3698      1.00000
      9       3.3856     -0.03443
     10       3.5304     -0.01233
     11       5.6734     -0.00000
     12       6.0196     -0.00000
     13       8.4132     -0.00000
     14       8.8643      0.00000
     15      10.2446      0.00000
     16      10.5339      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6213      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2543      1.00000
      2      -9.3262      1.00000
      3      -7.9711      1.00000
      4      -6.1365      1.00000
      5      -3.6851      1.00000
      6      -0.9594      1.00000
      7       2.2593      1.00000
      8       5.1522     -0.00000
      9       5.9180     -0.00000
     10       8.4142     -0.00000
     11       8.4505     -0.00000
     12      11.4363      0.00000
     13      11.4516      0.00000
     14      11.9067      0.00000
     15      12.0473      0.00000
     16      12.6283      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4202      1.00000
      2      -8.4890      1.00000
      3      -7.1295      1.00000
      4      -5.2891      1.00000
      5      -2.8254      1.00000
      6      -0.1243      1.00000
      7       3.0644      0.84764
      8       5.8073     -0.00000
      9       6.5870     -0.00000
     10       7.8637     -0.00000
     11       8.6196      0.00000
     12       8.9960      0.00000
     13       9.4146      0.00000
     14       9.8534      0.00000
     15      10.1900      0.00000
     16      10.7471      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0360      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1676      1.00000
      2      -7.2312      1.00000
      3      -5.8654      1.00000
      4      -4.0190      1.00000
      5      -1.5505      1.00000
      6       1.0941      1.00000
      7       3.8178     -0.00002
      8       4.6943     -0.00000
      9       5.4362     -0.00000
     10       6.5244     -0.00000
     11       7.0717     -0.00000
     12       7.6830     -0.00000
     13       8.1726     -0.00000
     14       8.9033      0.00000
     15       9.6260      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4935      1.00000
      2      -5.5502      1.00000
      3      -4.1789      1.00000
      4      -2.3394      1.00000
      5       0.0206      1.00000
      6       1.0118      1.00000
      7       2.0047      1.00000
      8       2.9948      0.99228
      9       3.5389     -0.01076
     10       5.1844     -0.00000
     11       5.9075     -0.00000
     12       7.3309     -0.00000
     13       7.9867     -0.00000
     14       8.6417      0.00000
     15       9.0915      0.00000
     16       9.1483      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3949      1.00000
      2      -3.4479      1.00000
      3      -2.0950      1.00000
      4      -1.8834      1.00000
      5      -1.0082      1.00000
      6      -0.3605      1.00000
      7       0.6521      1.00000
      8       2.2827      1.00000
      9       2.6622      1.00125
     10       4.7421     -0.00000
     11       4.8999     -0.00000
     12       7.0291     -0.00000
     13       7.4954     -0.00000
     14       8.0251     -0.00000
     15       8.8708      0.00000
     16       9.7006      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0335      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0355      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3766      1.00000
      2      -7.4412      1.00000
      3      -6.0763      1.00000
      4      -4.2304      1.00000
      5      -1.7603      1.00000
      6       0.9021      1.00000
      7       3.9620     -0.00000
      8       6.0229     -0.00000
      9       6.5047     -0.00000
     10       7.2444     -0.00000
     11       7.3179     -0.00000
     12       7.5236     -0.00000
     13       7.5918     -0.00000
     14       8.3950     -0.00000
     15       8.7556      0.00000
     16      10.0353      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9131      1.00000
      2      -5.9715      1.00000
      3      -4.6006      1.00000
      4      -2.7545      1.00000
      5      -0.3115      1.00000
      6       2.1659      1.00000
      7       3.1436      0.57912
      8       4.1324     -0.00000
      9       5.0971     -0.00000
     10       5.3749     -0.00000
     11       5.9229     -0.00000
     12       6.5019     -0.00000
     13       7.0151     -0.00000
     14       7.7656     -0.00000
     15       8.3985     -0.00000
     16       8.7438      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8353      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8260      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8320      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8382      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8338      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0262      1.00000
      2      -4.0789      1.00000
      3      -2.7101      1.00000
      4      -0.9133      1.00000
      5      -0.0424      1.00000
      6       0.7507      1.00000
      7       1.7148      1.00000
      8       2.6037      1.00032
      9       4.0727     -0.00000
     10       4.2634     -0.00000
     11       4.8756     -0.00000
     12       5.7534     -0.00000
     13       6.6330     -0.00000
     14       7.4095     -0.00000
     15       7.5308     -0.00000
     16       8.8549      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6679      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6679      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7278      1.00000
      2      -2.7107      1.00000
      3      -1.7908      1.00000
      4      -1.7718      1.00000
      5      -0.6584      1.00000
      6      -0.2731      1.00000
      7       1.2276      1.00000
      8       1.9627      1.00000
      9       3.7813     -0.00005
     10       3.9043     -0.00000
     11       4.7330     -0.00000
     12       5.7749     -0.00000
     13       6.3920     -0.00000
     14       6.7622     -0.00000
     15       7.1404     -0.00000
     16       8.6679      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6773      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6772      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2368      1.00000
      2      -4.2898      1.00000
      3      -2.9182      1.00000
      4      -1.0964      1.00000
      5       1.1559      1.00000
      6       2.1120      1.00000
      7       2.2747      1.00000
      8       3.0116      0.97155
      9       3.4751     -0.02332
     10       4.2429     -0.00000
     11       4.4963     -0.00000
     12       4.8675     -0.00000
     13       6.1994     -0.00000
     14       6.8423     -0.00000
     15       7.2537     -0.00000
     16       8.6773      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2307     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1388      1.00000
      2      -2.1951      1.00000
      3      -0.8578      1.00000
      4      -0.6374      1.00000
      5       0.2148      1.00000
      6       0.8225      1.00000
      7       1.7665      1.00000
      8       1.8409      1.00000
      9       2.5861      1.00020
     10       3.1807      0.39919
     11       4.1342     -0.00000
     12       4.6666     -0.00000
     13       6.0479     -0.00000
     14       6.1475     -0.00000
     15       6.3634     -0.00000
     16       8.2306     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8577      1.00000
      2      -0.8560      1.00000
      3      -0.8284      1.00000
      4       0.0036      1.00000
      5       0.0970      1.00000
      6       0.1002      1.00000
      7       1.1139      1.00000
      8       1.1171      1.00000
      9       1.8028      1.00000
     10       2.6684      1.00152
     11       4.0814     -0.00000
     12       4.0862     -0.00000
     13       5.9816     -0.00000
     14       5.9889     -0.00000
     15       6.0718     -0.00000
     16       8.0138     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.880   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.948 -61.928  -0.000  -0.147  -0.000   0.000  -0.012   0.000
-61.928  33.076   0.000   0.069   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.065   0.000   0.000  -0.320   0.000   0.000
 -0.147   0.069   0.000   1.701   0.000  -0.000  -0.261  -0.000
 -0.000   0.000   0.000   0.000   2.065   0.000  -0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.261  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.7453: real time    428.8015
    FORNL :  cpu time      0.5000: real time      0.5061
    FORCOR:  cpu time      1.9579: real time      1.9694
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.253E-05 -.498E-05 0.182E+03   0.398E-13 0.285E-13 -.181E+03   -.286E-05 0.476E-05 -.107E+01
   -.846E-08 0.152E-05 0.922E+02   0.600E-14 0.521E-14 -.921E+02   -.178E-06 -.112E-05 -.767E-01
   0.155E-05 -.279E-05 -.217E+00   -.148E-12 -.890E-13 0.199E+00   -.219E-05 0.251E-05 0.270E-01
   -.141E-05 0.230E-05 -.924E+02   0.134E-12 0.799E-13 0.923E+02   0.897E-06 -.195E-05 0.112E+00
   -.411E-07 0.611E-05 -.181E+03   -.417E-13 -.215E-13 0.180E+03   0.294E-06 -.670E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.280E-05 0.231E-05 -.106E-01   -.971E-14 0.313E-14 -.284E-13   -.404E-05 -.251E-05 0.831E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.028647
      0.00000      0.00000      2.36879        -0.000000      0.000000     -0.004838
      1.42873      0.82488      4.68278        -0.000001     -0.000000      0.008626
      2.85746      1.64976      7.00051         0.000000      0.000001      0.016360
      0.00000      0.00000      9.37924         0.000000     -0.000000      0.008500
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000     -0.001758


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439702 eV

  energy  without entropy=      -13.89786270  energy(sigma->0) =      -13.90221891
 
 d Force =-0.4008328E-06[-0.470E-06,-0.332E-06]  d Energy =-0.2376270E-05 0.198E-05
 d Force = 0.8641015E-01[ 0.864E-01, 0.864E-01]  d Ewald  = 0.8641015E-01-0.530E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9528: real time      1.9645


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.211E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.4340
 eigenvalue spectrum of G is  1.4340


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0560
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9536: real time      1.9657
    EDDIAG:  cpu time    590.0133: real time    594.9964
    CHARGE:  cpu time      0.2686: real time      0.2707
 writing wavefunctions
     LOOP+:  cpu time   3385.0019: real time   3413.3653


--------------------------------------- Iteration     59(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7304
    SETDIJ:  cpu time      1.2454: real time      1.2509
    TRIAL :  cpu time    591.6493: real time    596.7261
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.9023: real time    598.9939

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9950924E-03  (-0.1757740E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009834 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -699.86971577
  -exchange      EXHF   =        33.25165395
  -V(xc)+E(xc)   XCENC  =       -83.55365130
  PAW double counting   =    100993.60424407  -100892.64515940
  entropy T*S    EENTRO =        -0.00658184
  eigenvalues    EBANDS =       -35.33259011
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90340084 eV

  energy without entropy =      -13.89681899  energy(sigma->0) =      -13.90120689
  exchange ACFDT corr.  =        -0.00585796  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2455: real time      1.2509
    TRIAL :  cpu time    591.6030: real time    596.6591
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.8453: real time    598.9152

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6964144E-04  (-0.1430325E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009797 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -699.98740846
  -exchange      EXHF   =        33.25244007
  -V(xc)+E(xc)   XCENC  =       -83.55338000
  PAW double counting   =    100995.57278908  -100894.61373000
  entropy T*S    EENTRO =        -0.00658741
  eigenvalues    EBANDS =       -35.21599118
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90347048 eV

  energy without entropy =      -13.89688307  energy(sigma->0) =      -13.90127467
  exchange ACFDT corr.  =        -0.00586786  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2467: real time      1.2521
    TRIAL :  cpu time    590.9952: real time    596.0076
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    593.2388: real time    598.2650

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6398519E-03  (-0.9951512E-04)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009758 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.04619744
  -exchange      EXHF   =        33.25308656
  -V(xc)+E(xc)   XCENC  =       -83.55315338
  PAW double counting   =    100997.47875074  -100896.51970791
  entropy T*S    EENTRO =        -0.00658942
  eigenvalues    EBANDS =       -35.15869334
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90411033 eV

  energy without entropy =      -13.89752090  energy(sigma->0) =      -13.90191385
  exchange ACFDT corr.  =        -0.00587633  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2440: real time      1.2494
    TRIAL :  cpu time    591.8467: real time    596.8676
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    594.0856: real time    599.1203

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6485471E-04  (-0.3231004E-03)
 number of electron      15.0000000 magnetization       0.0000006
 augmentation part       -0.0009726 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.03628817
  -exchange      EXHF   =        33.25337286
  -V(xc)+E(xc)   XCENC  =       -83.55305622
  PAW double counting   =    100998.38239869  -100897.42330310
  entropy T*S    EENTRO =        -0.00659358
  eigenvalues    EBANDS =       -35.16910169
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90417518 eV

  energy without entropy =      -13.89758161  energy(sigma->0) =      -13.90197732
  exchange ACFDT corr.  =        -0.00588066  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7289
    SETDIJ:  cpu time      1.2438: real time      1.2493
    TRIAL :  cpu time    590.8942: real time    595.9602
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    593.1347: real time    598.2144

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5301992E-04  (-0.1901781E-03)
 number of electron      15.0000000 magnetization       0.0000007
 augmentation part       -0.0009703 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.02305032
  -exchange      EXHF   =        33.25344988
  -V(xc)+E(xc)   XCENC  =       -83.55303600
  PAW double counting   =    100998.92429013  -100897.96516071
  entropy T*S    EENTRO =        -0.00660068
  eigenvalues    EBANDS =       -35.18251947
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90422820 eV

  energy without entropy =      -13.89762752  energy(sigma->0) =      -13.90202798
  exchange ACFDT corr.  =        -0.00588485  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7289
    SETDIJ:  cpu time      1.2413: real time      1.2467
    TRIAL :  cpu time    591.1581: real time    596.2136
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time    593.3951: real time    598.4645

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9515688E-04  (-0.1724472E-04)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0009687 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.02869190
  -exchange      EXHF   =        33.25343546
  -V(xc)+E(xc)   XCENC  =       -83.55304365
  PAW double counting   =    100999.18008494  -100898.22093842
  entropy T*S    EENTRO =        -0.00660701
  eigenvalues    EBANDS =       -35.17696097
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432336 eV

  energy without entropy =      -13.89771635  energy(sigma->0) =      -13.90212102
  exchange ACFDT corr.  =        -0.00589008  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7292
    SETDIJ:  cpu time      1.2419: real time      1.2473
    TRIAL :  cpu time    591.5720: real time    596.6689
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    593.8099: real time    598.9205

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8704752E-05  (-0.5388153E-04)
 number of electron      15.0000000 magnetization       0.0000009
 augmentation part       -0.0009677 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.03161179
  -exchange      EXHF   =        33.25336462
  -V(xc)+E(xc)   XCENC  =       -83.55307152
  PAW double counting   =    100998.86121454  -100897.90205478
  entropy T*S    EENTRO =        -0.00661108
  eigenvalues    EBANDS =       -35.17395799
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90433207 eV

  energy without entropy =      -13.89772098  energy(sigma->0) =      -13.90212837
  exchange ACFDT corr.  =        -0.00589443  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2421: real time      1.2478
    TRIAL :  cpu time    588.7396: real time    593.8111
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    590.9773: real time    596.0629

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1296967E-04  (-0.2642120E-04)
 number of electron      15.0000000 magnetization       0.0000009
 augmentation part       -0.0009672 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.02117546
  -exchange      EXHF   =        33.25327869
  -V(xc)+E(xc)   XCENC  =       -83.55310451
  PAW double counting   =    100998.21481168  -100897.25566835
  entropy T*S    EENTRO =        -0.00661399
  eigenvalues    EBANDS =       -35.18426787
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434503 eV

  energy without entropy =      -13.89773105  energy(sigma->0) =      -13.90214037
  exchange ACFDT corr.  =        -0.00589729  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2424: real time      1.2482
    TRIAL :  cpu time    588.5220: real time    593.6020
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    590.7609: real time    595.8551

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1519262E-04  (-0.4735946E-05)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0009667 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.01110911
  -exchange      EXHF   =        33.25323444
  -V(xc)+E(xc)   XCENC  =       -83.55312345
  PAW double counting   =    100997.31478414  -100896.35562450
  entropy T*S    EENTRO =        -0.00661694
  eigenvalues    EBANDS =       -35.19429963
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436023 eV

  energy without entropy =      -13.89774329  energy(sigma->0) =      -13.90215458
  exchange ACFDT corr.  =        -0.00589965  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     59(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2407: real time      1.2465
    TRIAL :  cpu time    588.8827: real time    593.9060
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.0472: real time    596.0248
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time   1182.1655: real time   1192.1806

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2783490E-05  (-0.9806628E-05)
 number of electron      15.0000000 magnetization       0.0000008
 augmentation part       -0.0009660 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.06700762
  -Hartree energ DENC   =      -700.01206735
  -exchange      EXHF   =        33.25329402
  -V(xc)+E(xc)   XCENC  =       -83.55312020
  PAW double counting   =    100997.03420863  -100896.07504730
  entropy T*S    EENTRO =        -0.00661989
  eigenvalues    EBANDS =       -35.19336268
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436301 eV

  energy without entropy =      -13.89774312  energy(sigma->0) =      -13.90215638
  exchange ACFDT corr.  =        -0.00590234  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0297


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9072       2 -69.7827       3 -69.7691       4 -69.7697       5 -69.8890
 
 
 
 E-fermi :   3.1541     XC(G=0):  -5.1222     alpha+bet : -8.9779

 Fermi energy:         3.1541023213

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8926      1.00000
      2      -9.9601      1.00000
      3      -8.6062      1.00000
      4      -6.7749      1.00000
      5      -4.3331      1.00000
      6      -1.5911      1.00000
      7       1.6279      1.00000
      8       4.6132     -0.00000
      9       5.4038     -0.00000
     10       7.9250     -0.00000
     11       7.9803     -0.00000
     12      11.8855      0.00000
     13      12.1820      0.00000
     14      16.0568      0.00000
     15      16.0608      0.00000
     16      16.0674      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4979      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4979      0.00000
     16      12.7580      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4980      0.00000
     16      12.7668      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5901      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5903      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5911      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8129      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8127      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8127      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7149      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7148      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7148      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6210      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6214      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0663      0.83619
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0338      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0336      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99208
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0348      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0433      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0450      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58855
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58855
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58855
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58855
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8240      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8283      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8233      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8470      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8388      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8519      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9595      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9596      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9596      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97516
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6774      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97515
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6777      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97515
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6777      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39988
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2290     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39985
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39986
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2290     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39986
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2290     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39985
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2290     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39987
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2300     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8715      1.00000
      2      -0.8693      1.00000
      3      -0.8416      1.00000
      4      -0.0051      1.00000
      5       0.0908      1.00000
      6       0.0939      1.00000
      7       1.1069      1.00000
      8       1.1110      1.00000
      9       1.8005      1.00000
     10       2.6664      1.00152
     11       4.0777     -0.00000
     12       4.0841     -0.00000
     13       5.9852     -0.00000
     14       5.9852     -0.00000
     15       6.0683     -0.00000
     16       8.0133     -0.00000
 Fermi energy:         3.1541023213

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8926      1.00000
      2      -9.9601      1.00000
      3      -8.6062      1.00000
      4      -6.7749      1.00000
      5      -4.3331      1.00000
      6      -1.5911      1.00000
      7       1.6279      1.00000
      8       4.6132     -0.00000
      9       5.4038     -0.00000
     10       7.9250     -0.00000
     11       7.9803     -0.00000
     12      11.8854      0.00000
     13      12.1820      0.00000
     14      16.0568      0.00000
     15      16.0596      0.00000
     16      16.0675      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6841      1.00000
      2      -9.7510      1.00000
      3      -8.3960      1.00000
      4      -6.5631      1.00000
      5      -4.1171      1.00000
      6      -1.3811      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5782     -0.00000
     10       8.0930     -0.00000
     11       8.1454     -0.00000
     12      12.0153      0.00000
     13      12.2769      0.00000
     14      13.1207      0.00000
     15      13.8774      0.00000
     16      14.3210      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4980      0.00000
     16      12.7607      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4979      0.00000
     16      12.7574      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0587      1.00000
      2      -9.1235      1.00000
      3      -7.7653      1.00000
      4      -5.9277      1.00000
      5      -3.4705      1.00000
      6      -0.7521      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0961     -0.00000
     10       8.4754     -0.00000
     11       8.6214      0.00000
     12       9.7266      0.00000
     13      10.2969      0.00000
     14      11.3899      0.00000
     15      12.4979      0.00000
     16      12.7580      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5902      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5909      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0157      1.00000
      2      -8.0765      1.00000
      3      -6.7129      1.00000
      4      -4.8686      1.00000
      5      -2.3988      1.00000
      6       0.2855      1.00000
      7       3.4233     -0.03360
      8       5.6430     -0.00000
      9       6.5340     -0.00000
     10       6.8888     -0.00000
     11       7.0426     -0.00000
     12       8.0771     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7995      0.00000
     16      11.5905      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8128      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8132      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5532      1.00000
      2      -6.6078      1.00000
      3      -5.2374      1.00000
      4      -3.3896      1.00000
      5      -0.9329      1.00000
      6       1.5763      1.00000
      7       2.5437      1.00007
      8       3.5520     -0.00824
      9       4.8161     -0.00000
     10       5.1397     -0.00000
     11       6.5078     -0.00000
     12       7.6362     -0.00000
     13       8.2059     -0.00000
     14       8.7128      0.00000
     15      10.5108      0.00000
     16      10.8130      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7148      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7148      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6673      1.00000
      2      -4.7148      1.00000
      3      -3.3434      1.00000
      4      -1.5351      1.00000
      5      -0.6724      1.00000
      6       0.1426      1.00000
      7       1.1218      1.00000
      8       2.0282      1.00000
      9       3.6368     -0.00169
     10       3.7384     -0.00014
     11       5.9337     -0.00000
     12       6.7146     -0.00000
     13       8.2336     -0.00000
     14       9.1828      0.00000
     15       9.7449      0.00000
     16      10.3989      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3670      1.00000
      2      -3.3500      1.00000
      3      -2.4122      1.00000
      4      -2.4104      1.00000
      5      -1.2786      1.00000
      6      -0.8901      1.00000
      7       0.6242      1.00000
      8       1.3666      1.00000
      9       3.3857     -0.03471
     10       3.5278     -0.01194
     11       5.6714     -0.00000
     12       6.0170     -0.00000
     13       8.4143     -0.00000
     14       8.8641      0.00000
     15      10.2314      0.00000
     16      10.5322      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6209      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2672      1.00000
      2      -9.3327      1.00000
      3      -7.9756      1.00000
      4      -6.1395      1.00000
      5      -3.6858      1.00000
      6      -0.9615      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9249     -0.00000
     10       8.4178     -0.00000
     11       8.4541     -0.00000
     12      11.4236      0.00000
     13      11.4400      0.00000
     14      11.9018      0.00000
     15      12.0432      0.00000
     16      12.6271      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4331      1.00000
      2      -8.4955      1.00000
      3      -7.1341      1.00000
      4      -5.2922      1.00000
      5      -2.8262      1.00000
      6      -0.1265      1.00000
      7       3.0662      0.83620
      8       5.8100     -0.00000
      9       6.5934     -0.00000
     10       7.8541     -0.00000
     11       8.6130     -0.00000
     12       8.9976      0.00000
     13       9.4153      0.00000
     14       9.8493      0.00000
     15      10.1799      0.00000
     16      10.7407      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1691     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1691     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1691     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0356      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1806      1.00000
      2      -7.2379      1.00000
      3      -5.8701      1.00000
      4      -4.0223      1.00000
      5      -1.5515      1.00000
      6       1.0916      1.00000
      7       3.8120     -0.00002
      8       4.6889     -0.00000
      9       5.4304     -0.00000
     10       6.5192     -0.00000
     11       7.0738     -0.00000
     12       7.6894     -0.00000
     13       8.1690     -0.00000
     14       8.8932      0.00000
     15       9.6197      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99208
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99207
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5066      1.00000
      2      -5.5570      1.00000
      3      -4.1837      1.00000
      4      -2.3429      1.00000
      5       0.0182      1.00000
      6       0.9995      1.00000
      7       1.9989      1.00000
      8       2.9924      0.99208
      9       3.5338     -0.01092
     10       5.1807     -0.00000
     11       5.9081     -0.00000
     12       7.3280     -0.00000
     13       7.9811     -0.00000
     14       8.6407      0.00000
     15       9.0973      0.00000
     16       9.1424      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4081      1.00000
      2      -3.4548      1.00000
      3      -2.1001      1.00000
      4      -1.8967      1.00000
      5      -1.0155      1.00000
      6      -0.3644      1.00000
      7       0.6485      1.00000
      8       2.2815      1.00000
      9       2.6589      1.00129
     10       4.7400     -0.00000
     11       4.8980     -0.00000
     12       7.0247     -0.00000
     13       7.4913     -0.00000
     14       8.0208     -0.00000
     15       8.8654      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0354      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0377      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3896      1.00000
      2      -7.4478      1.00000
      3      -6.0810      1.00000
      4      -4.2336      1.00000
      5      -1.7612      1.00000
      6       0.8997      1.00000
      7       3.9625     -0.00000
      8       6.0159     -0.00000
      9       6.4953     -0.00000
     10       7.2394     -0.00000
     11       7.3118     -0.00000
     12       7.5190     -0.00000
     13       7.5963     -0.00000
     14       8.3907     -0.00000
     15       8.7508      0.00000
     16      10.0369      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9262      1.00000
      2      -5.9782      1.00000
      3      -4.6053      1.00000
      4      -2.7579      1.00000
      5      -0.3128      1.00000
      6       2.1614      1.00000
      7       3.1327      0.58856
      8       4.1264     -0.00000
      9       5.0893     -0.00000
     10       5.3698     -0.00000
     11       5.9181     -0.00000
     12       6.4973     -0.00000
     13       7.0110     -0.00000
     14       7.7625     -0.00000
     15       8.4005     -0.00000
     16       8.7500      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8316      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7447      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8217      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8285      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8352      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7446      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8300      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0394      1.00000
      2      -4.0857      1.00000
      3      -2.7150      1.00000
      4      -0.9170      1.00000
      5      -0.0560      1.00000
      6       0.7447      1.00000
      7       1.7124      1.00000
      8       2.5998      1.00032
      9       4.0696     -0.00000
     10       4.2578     -0.00000
     11       4.8652     -0.00000
     12       5.7484     -0.00000
     13       6.6321     -0.00000
     14       7.4065     -0.00000
     15       7.5301     -0.00000
     16       8.8511      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9596      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9596      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7413      1.00000
      2      -2.7240      1.00000
      3      -1.7985      1.00000
      4      -1.7781      1.00000
      5      -0.6644      1.00000
      6      -0.2773      1.00000
      7       1.2246      1.00000
      8       1.9596      1.00000
      9       3.7800     -0.00004
     10       3.8981     -0.00000
     11       4.7237     -0.00000
     12       5.7709     -0.00000
     13       6.3909     -0.00000
     14       6.7591     -0.00000
     15       7.1354     -0.00000
     16       8.6644      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97516
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6775      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97515
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6774      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2500      1.00000
      2      -4.2966      1.00000
      3      -2.9231      1.00000
      4      -1.1001      1.00000
      5       1.1527      1.00000
      6       2.0988      1.00000
      7       2.2628      1.00000
      8       3.0044      0.97515
      9       3.4708     -0.02378
     10       4.2392     -0.00000
     11       4.4913     -0.00000
     12       4.8634     -0.00000
     13       6.1968     -0.00000
     14       6.8390     -0.00000
     15       7.2547     -0.00000
     16       8.6775      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39986
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2290     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39985
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39981
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39981
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2292     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39984
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1521      1.00000
      2      -2.2021      1.00000
      3      -0.8632      1.00000
      4      -0.6505      1.00000
      5       0.2073      1.00000
      6       0.8183      1.00000
      7       1.7548      1.00000
      8       1.8348      1.00000
      9       2.5805      1.00019
     10       3.1778      0.39986
     11       4.1314     -0.00000
     12       4.6640     -0.00000
     13       6.0473     -0.00000
     14       6.1439     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8715      1.00000
      2      -0.8693      1.00000
      3      -0.8416      1.00000
      4      -0.0051      1.00000
      5       0.0908      1.00000
      6       0.0939      1.00000
      7       1.1069      1.00000
      8       1.1110      1.00000
      9       1.8005      1.00000
     10       2.6664      1.00152
     11       4.0777     -0.00000
     12       4.0841     -0.00000
     13       5.9852     -0.00000
     14       5.9852     -0.00000
     15       6.0683     -0.00000
     16       8.0133     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.769  23.498  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
 -0.000  -0.000   0.000   0.000   1.879   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
 -0.000  -0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.947 -61.926   0.000  -0.154   0.000  -0.000  -0.010  -0.000
-61.926  33.075  -0.000   0.074  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.154   0.074   0.000   1.698  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.065   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    427.1830: real time    430.2609
    FORNL :  cpu time      0.4993: real time      0.5053
    FORCOR:  cpu time      1.9637: real time      1.9754
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.450E-05 0.112E-04 0.182E+03   0.402E-13 0.265E-13 -.181E+03   -.513E-05 -.118E-04 -.106E+01
   0.111E-07 0.353E-05 0.923E+02   0.736E-14 0.300E-14 -.923E+02   0.114E-05 -.230E-05 -.912E-01
   -.151E-06 0.284E-05 -.259E-01   -.152E-12 -.862E-13 0.207E-01   0.171E-06 -.313E-05 -.492E-02
   0.986E-06 0.738E-05 -.924E+02   0.140E-12 0.833E-13 0.923E+02   -.327E-06 -.949E-05 0.969E-01
   -.237E-05 -.843E-05 -.181E+03   -.454E-13 -.235E-13 0.181E+03   0.190E-05 0.918E-05 0.105E+01
 -----------------------------------------------------------------------------------------------
   0.305E-05 0.173E-04 -.134E-01   -.971E-14 0.313E-14 0.568E-13   -.225E-05 -.176E-04 -.607E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000001     -0.000000     -0.018394
      0.00000      0.00000      2.37182         0.000001      0.000001     -0.012544
      1.42873      0.82488      4.68697        -0.000000     -0.000000     -0.006468
      2.85746      1.64976      7.00194         0.000001     -0.000002      0.008626
      0.00000      0.00000      9.37583        -0.000001      0.000000      0.028780
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001     -0.020054


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90436301 eV

  energy  without entropy=      -13.89774312  energy(sigma->0) =      -13.90215638
 
 d Force =-0.6743855E-04[-0.151E-03, 0.160E-04]  d Energy =-0.3401085E-04-0.334E-04
 d Force =-0.7614084E+00[-0.762E+00,-0.760E+00]  d Ewald  =-0.7614084E+00 0.456E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9638: real time      1.9755


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.532E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.8324
 eigenvalue spectrum of G is  2.8324  2.8324


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0747
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0846
    POTLOK:  cpu time      1.9601: real time      1.9721
    EDDIAG:  cpu time    588.4351: real time    593.4008
    CHARGE:  cpu time      0.2689: real time      0.2711
 writing wavefunctions
     LOOP+:  cpu time   7542.6214: real time   7606.6024


--------------------------------------- Iteration     60(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7302
    SETDIJ:  cpu time      1.2429: real time      1.2483
    TRIAL :  cpu time    591.3910: real time    596.4121
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2704: real time      0.2726
    --------------------------------------------
      LOOP:  cpu time    593.6426: real time    598.6783

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6980436E-03  (-0.3091049E-02)
 number of electron      15.0000000 magnetization       0.0000004
 augmentation part       -0.0009651 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.01637559
  -exchange      EXHF   =        33.25337272
  -V(xc)+E(xc)   XCENC  =       -83.55309055
  PAW double counting   =    100997.39200471  -100896.43284021
  entropy T*S    EENTRO =        -0.00663231
  eigenvalues    EBANDS =       -35.19219766
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90366218 eV

  energy without entropy =      -13.89702987  energy(sigma->0) =      -13.90145141
  exchange ACFDT corr.  =        -0.00591681  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7290
    SETDIJ:  cpu time      1.2424: real time      1.2479
    TRIAL :  cpu time    591.2964: real time    596.3688
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.5356: real time    598.6221

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3009081E-03  (-0.2494550E-02)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009645 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02854438
  -exchange      EXHF   =        33.25340924
  -V(xc)+E(xc)   XCENC  =       -83.55307855
  PAW double counting   =    100998.13804689  -100897.17890828
  entropy T*S    EENTRO =        -0.00663483
  eigenvalues    EBANDS =       -35.17975000
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90336128 eV

  energy without entropy =      -13.89672644  energy(sigma->0) =      -13.90114966
  exchange ACFDT corr.  =        -0.00591734  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7291
    SETDIJ:  cpu time      1.2424: real time      1.2478
    TRIAL :  cpu time    590.5919: real time    595.6300
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2681: real time      0.2703
    --------------------------------------------
      LOOP:  cpu time    592.8294: real time    597.8818

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9502251E-03  ( 0.5644402E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009638 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02786829
  -exchange      EXHF   =        33.25340743
  -V(xc)+E(xc)   XCENC  =       -83.55307814
  PAW double counting   =    100998.90964168  -100897.95048718
  entropy T*S    EENTRO =        -0.00663510
  eigenvalues    EBANDS =       -35.18138829
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90431150 eV

  energy without entropy =      -13.89767640  energy(sigma->0) =      -13.90209980
  exchange ACFDT corr.  =        -0.00591908  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7287
    SETDIJ:  cpu time      1.2408: real time      1.2462
    TRIAL :  cpu time    590.9596: real time    596.0245
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.1955: real time    598.2758

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7135526E-04  (-0.5236192E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009630 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02395243
  -exchange      EXHF   =        33.25339610
  -V(xc)+E(xc)   XCENC  =       -83.55308232
  PAW double counting   =    100999.79958561  -100898.84043092
  entropy T*S    EENTRO =        -0.00663544
  eigenvalues    EBANDS =       -35.18521722
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90424015 eV

  energy without entropy =      -13.89760471  energy(sigma->0) =      -13.90202833
  exchange ACFDT corr.  =        -0.00591933  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7295
    SETDIJ:  cpu time      1.2401: real time      1.2456
    TRIAL :  cpu time    591.3131: real time    596.4091
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    593.5504: real time    598.6603

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3174995E-05  (-0.3087113E-03)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009624 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02248340
  -exchange      EXHF   =        33.25339142
  -V(xc)+E(xc)   XCENC  =       -83.55308394
  PAW double counting   =    101000.73265862  -100899.77351978
  entropy T*S    EENTRO =        -0.00663647
  eigenvalues    EBANDS =       -35.18666058
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90423697 eV

  energy without entropy =      -13.89760050  energy(sigma->0) =      -13.90202481
  exchange ACFDT corr.  =        -0.00591966  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7286
    SETDIJ:  cpu time      1.2383: real time      1.2441
    TRIAL :  cpu time    589.2495: real time    594.3109
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    591.4833: real time    596.5586

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1307570E-03  ( 0.1046753E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009618 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02307433
  -exchange      EXHF   =        33.25339232
  -V(xc)+E(xc)   XCENC  =       -83.55308385
  PAW double counting   =    101001.54944889  -100900.59030194
  entropy T*S    EENTRO =        -0.00663717
  eigenvalues    EBANDS =       -35.18620847
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436773 eV

  energy without entropy =      -13.89773056  energy(sigma->0) =      -13.90215534
  exchange ACFDT corr.  =        -0.00592047  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2421: real time      1.2474
    TRIAL :  cpu time    591.0481: real time    596.0467
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.2870: real time    598.2994

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1970718E-04  (-0.8632143E-04)
 number of electron      15.0000000 magnetization       0.0000003
 augmentation part       -0.0009614 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02451962
  -exchange      EXHF   =        33.25339600
  -V(xc)+E(xc)   XCENC  =       -83.55308264
  PAW double counting   =    101002.28493160  -100901.32578215
  entropy T*S    EENTRO =        -0.00663764
  eigenvalues    EBANDS =       -35.18475016
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434802 eV

  energy without entropy =      -13.89771038  energy(sigma->0) =      -13.90213547
  exchange ACFDT corr.  =        -0.00592107  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2410: real time      1.2465
    TRIAL :  cpu time    589.5803: real time    594.5844
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    591.8179: real time    596.8356

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6274684E-05  (-0.3633923E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009611 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02452402
  -exchange      EXHF   =        33.25339611
  -V(xc)+E(xc)   XCENC  =       -83.55308323
  PAW double counting   =    101002.90380996  -100901.94467167
  entropy T*S    EENTRO =        -0.00663812
  eigenvalues    EBANDS =       -35.18473993
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435430 eV

  energy without entropy =      -13.89771618  energy(sigma->0) =      -13.90214159
  exchange ACFDT corr.  =        -0.00592151  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2426: real time      1.2481
    TRIAL :  cpu time    590.7743: real time    595.7471
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    593.0120: real time    597.9986

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1714082E-04  ( 0.7604573E-06)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009609 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02341752
  -exchange      EXHF   =        33.25339398
  -V(xc)+E(xc)   XCENC  =       -83.55308432
  PAW double counting   =    101003.35364311  -100902.39450339
  entropy T*S    EENTRO =        -0.00663857
  eigenvalues    EBANDS =       -35.18586130
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437144 eV

  energy without entropy =      -13.89773286  energy(sigma->0) =      -13.90215858
  exchange ACFDT corr.  =        -0.00592193  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2403: real time      1.2457
    TRIAL :  cpu time    589.8174: real time    594.8896
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    592.0539: real time    597.1399

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3783702E-05  (-0.1367977E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009609 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02327921
  -exchange      EXHF   =        33.25339502
  -V(xc)+E(xc)   XCENC  =       -83.55308417
  PAW double counting   =    101003.67685790  -100902.71772133
  entropy T*S    EENTRO =        -0.00663901
  eigenvalues    EBANDS =       -35.18599341
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436765 eV

  energy without entropy =      -13.89772864  energy(sigma->0) =      -13.90215465
  exchange ACFDT corr.  =        -0.00592234  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     60(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7288
    SETDIJ:  cpu time      1.2416: real time      1.2471
    TRIAL :  cpu time    592.4639: real time    597.5082
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    588.9109: real time    593.8420
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time   1183.6120: real time   1193.6014

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1883964E-05  (-0.4086116E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009609 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.07071188
  -Hartree energ DENC   =      -700.02387662
  -exchange      EXHF   =        33.25340015
  -V(xc)+E(xc)   XCENC  =       -83.55308343
  PAW double counting   =    101003.83426401  -100902.87513088
  entropy T*S    EENTRO =        -0.00663941
  eigenvalues    EBANDS =       -35.18539793
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436954 eV

  energy without entropy =      -13.89773012  energy(sigma->0) =      -13.90215640
  exchange ACFDT corr.  =        -0.00592274  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1615


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8871       2 -69.7674       3 -69.7684       4 -69.7831       5 -69.9087
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1222     alpha+bet : -8.9779

 Fermi energy:         3.1544620103

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9595      1.00000
      3      -8.6058      1.00000
      4      -6.7745      1.00000
      5      -4.3326      1.00000
      6      -1.5907      1.00000
      7       1.6285      1.00000
      8       4.6132     -0.00000
      9       5.4031     -0.00000
     10       7.9246     -0.00000
     11       7.9801     -0.00000
     12      11.8854      0.00000
     13      12.1818      0.00000
     14      16.0576      0.00000
     15      16.0620      0.00000
     16      16.0685      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7573      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7580      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7659      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5906      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5907      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5914      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8126      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8125      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8124      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6214      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6214      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83462
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0339      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0338      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3425      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0345      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0429      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0448      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8248      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8276      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8236      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8467      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6325     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8390      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6325     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8526      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6777      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6780      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6780      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40071
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40071
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40071
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2302     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8701      1.00000
      2      -0.8692      1.00000
      3      -0.8408      1.00000
      4      -0.0044      1.00000
      5       0.0919      1.00000
      6       0.0940      1.00000
      7       1.1072      1.00000
      8       1.1116      1.00000
      9       1.8007      1.00000
     10       2.6667      1.00151
     11       4.0766     -0.00000
     12       4.0858     -0.00000
     13       5.9842     -0.00000
     14       5.9869     -0.00000
     15       6.0689     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1544620103

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8918      1.00000
      2      -9.9595      1.00000
      3      -8.6058      1.00000
      4      -6.7745      1.00000
      5      -4.3326      1.00000
      6      -1.5907      1.00000
      7       1.6285      1.00000
      8       4.6132     -0.00000
      9       5.4031     -0.00000
     10       7.9246     -0.00000
     11       7.9801     -0.00000
     12      11.8854      0.00000
     13      12.1818      0.00000
     14      16.0576      0.00000
     15      16.0601      0.00000
     16      16.0685      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6834      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5627      1.00000
      5      -4.1166      1.00000
      6      -1.3807      1.00000
      7       1.8420      1.00000
      8       4.7963     -0.00000
      9       5.5774     -0.00000
     10       8.0926     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1214      0.00000
     15      13.8781      0.00000
     16      14.3219      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7606      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7575      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0579      1.00000
      2      -9.1228      1.00000
      3      -7.7649      1.00000
      4      -5.9272      1.00000
      5      -3.4700      1.00000
      6      -0.7516      1.00000
      7       2.4679      1.00001
      8       5.3288     -0.00000
      9       6.0954     -0.00000
     10       8.4752     -0.00000
     11       8.6211      0.00000
     12       9.7272      0.00000
     13      10.2974      0.00000
     14      11.3903      0.00000
     15      12.4979      0.00000
     16      12.7580      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5906      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5913      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0150      1.00000
      2      -8.0759      1.00000
      3      -6.7125      1.00000
      4      -4.8682      1.00000
      5      -2.3983      1.00000
      6       0.2859      1.00000
      7       3.4238     -0.03353
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8894     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5717      0.00000
     15       9.7997      0.00000
     16      11.5909      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8125      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8129      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5525      1.00000
      2      -6.6072      1.00000
      3      -5.2369      1.00000
      4      -3.3892      1.00000
      5      -0.9324      1.00000
      6       1.5768      1.00000
      7       2.5443      1.00007
      8       3.5526     -0.00824
      9       4.8164     -0.00000
     10       5.1402     -0.00000
     11       6.5082     -0.00000
     12       7.6363     -0.00000
     13       8.2052     -0.00000
     14       8.7132      0.00000
     15      10.5106      0.00000
     16      10.8128      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6665      1.00000
      2      -4.7142      1.00000
      3      -3.3430      1.00000
      4      -1.5347      1.00000
      5      -0.6717      1.00000
      6       0.1432      1.00000
      7       1.1222      1.00000
      8       2.0286      1.00000
      9       3.6371     -0.00169
     10       3.7389     -0.00014
     11       5.9341     -0.00000
     12       6.7150     -0.00000
     13       8.2340     -0.00000
     14       9.1829      0.00000
     15       9.7441      0.00000
     16      10.3998      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3663      1.00000
      2      -3.3493      1.00000
      3      -2.4116      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6246      1.00000
      8       1.3670      1.00000
      9       3.3860     -0.03470
     10       3.5283     -0.01191
     11       5.6717     -0.00000
     12       6.0174     -0.00000
     13       8.4146     -0.00000
     14       8.8644      0.00000
     15      10.2323      0.00000
     16      10.5325      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2664      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1391      1.00000
      5      -3.6853      1.00000
      6      -0.9610      1.00000
      7       2.2621      1.00000
      8       5.1558     -0.00000
      9       5.9242     -0.00000
     10       8.4174     -0.00000
     11       8.4539     -0.00000
     12      11.4243      0.00000
     13      11.4406      0.00000
     14      11.9023      0.00000
     15      12.0437      0.00000
     16      12.6272      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4323      1.00000
      2      -8.4949      1.00000
      3      -7.1337      1.00000
      4      -5.2918      1.00000
      5      -2.8257      1.00000
      6      -0.1261      1.00000
      7       3.0668      0.83463
      8       5.8101     -0.00000
      9       6.5927     -0.00000
     10       7.8546     -0.00000
     11       8.6136     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1805      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0352      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1798      1.00000
      2      -7.2373      1.00000
      3      -5.8697      1.00000
      4      -4.0219      1.00000
      5      -1.5511      1.00000
      6       1.0920      1.00000
      7       3.8126     -0.00002
      8       4.6894     -0.00000
      9       5.4310     -0.00000
     10       6.5196     -0.00000
     11       7.0739     -0.00000
     12       7.6887     -0.00000
     13       8.1694     -0.00000
     14       8.8937      0.00000
     15       9.6203      0.00000
     16      10.0337      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5059      1.00000
      2      -5.5563      1.00000
      3      -4.1833      1.00000
      4      -2.3424      1.00000
      5       0.0187      1.00000
      6       1.0002      1.00000
      7       1.9995      1.00000
      8       2.9928      0.99218
      9       3.5342     -0.01093
     10       5.1810     -0.00000
     11       5.9085     -0.00000
     12       7.3285     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0966      0.00000
     16       9.1430      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4074      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8959      1.00000
      5      -1.0149      1.00000
      6      -0.3640      1.00000
      7       0.6488      1.00000
      8       2.2818      1.00000
      9       2.6594      1.00129
     10       4.7404     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4918     -0.00000
     14       8.0212     -0.00000
     15       8.8660      0.00000
     16       9.6999      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0353      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0372      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3888      1.00000
      2      -7.4472      1.00000
      3      -6.0806      1.00000
      4      -4.2332      1.00000
      5      -1.7607      1.00000
      6       0.9001      1.00000
      7       3.9630     -0.00000
      8       6.0164     -0.00000
      9       6.4958     -0.00000
     10       7.2397     -0.00000
     11       7.3123     -0.00000
     12       7.5195     -0.00000
     13       7.5957     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0369      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9254      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7575      1.00000
      5      -0.3123      1.00000
      6       2.1618      1.00000
      7       3.1333      0.58905
      8       4.1269     -0.00000
      9       5.0899     -0.00000
     10       5.3702     -0.00000
     11       5.9186     -0.00000
     12       6.4978     -0.00000
     13       7.0114     -0.00000
     14       7.7628     -0.00000
     15       8.4006     -0.00000
     16       8.7493      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8317      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8223      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8278      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8341      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8293      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0387      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9166      1.00000
      5      -0.0553      1.00000
      6       0.7452      1.00000
      7       1.7127      1.00000
      8       2.6002      1.00032
      9       4.0700     -0.00000
     10       4.2583     -0.00000
     11       4.8658     -0.00000
     12       5.7489     -0.00000
     13       6.6325     -0.00000
     14       7.4069     -0.00000
     15       7.5305     -0.00000
     16       8.8513      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7406      1.00000
      2      -2.7232      1.00000
      3      -1.7979      1.00000
      4      -1.7775      1.00000
      5      -0.6639      1.00000
      6      -0.2769      1.00000
      7       1.2249      1.00000
      8       1.9599      1.00000
      9       3.7804     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7595     -0.00000
     15       7.1358     -0.00000
     16       8.6648      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6778      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6777      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2492      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0997      1.00000
      5       1.1532      1.00000
      6       2.0995      1.00000
      7       2.2635      1.00000
      8       3.0050      0.97538
      9       3.4713     -0.02381
     10       4.2395     -0.00000
     11       4.4918     -0.00000
     12       4.8638     -0.00000
     13       6.1971     -0.00000
     14       6.8393     -0.00000
     15       7.2550     -0.00000
     16       8.6778      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2293     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40068
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40068
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1514      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6498      1.00000
      5       0.2079      1.00000
      6       0.8187      1.00000
      7       1.7555      1.00000
      8       1.8353      1.00000
      9       2.5811      1.00019
     10       3.1781      0.40070
     11       4.1318     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1443     -0.00000
     15       6.3612     -0.00000
     16       8.2294     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8701      1.00000
      2      -0.8692      1.00000
      3      -0.8408      1.00000
      4      -0.0044      1.00000
      5       0.0919      1.00000
      6       0.0940      1.00000
      7       1.1072      1.00000
      8       1.1116      1.00000
      9       1.8007      1.00000
     10       2.6667      1.00151
     11       4.0766     -0.00000
     12       4.0858     -0.00000
     13       5.9842     -0.00000
     14       5.9869     -0.00000
     15       6.0689     -0.00000
     16       8.0135     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
  0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.960 -61.934   0.000  -0.154   0.000  -0.000  -0.010  -0.000
-61.934  33.079  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.154   0.073   0.000   1.697   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    427.2921: real time    430.3575
    FORNL :  cpu time      0.4978: real time      0.5038
    FORCOR:  cpu time      1.9635: real time      1.9750
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.490E-05 0.348E-06 0.182E+03   0.418E-13 0.251E-13 -.181E+03   -.535E-05 -.201E-06 -.106E+01
   0.109E-05 0.302E-05 0.923E+02   0.363E-14 0.407E-14 -.923E+02   -.122E-05 -.332E-05 -.876E-01
   0.184E-05 0.126E-05 -.248E-01   -.149E-12 -.836E-13 0.247E-01   -.194E-05 -.946E-06 -.777E-03
   0.336E-06 0.255E-05 -.924E+02   0.138E-12 0.804E-13 0.923E+02   -.440E-06 -.294E-05 0.980E-01
   0.246E-05 -.328E-05 -.181E+03   -.448E-13 -.228E-13 0.181E+03   -.242E-05 0.334E-05 0.105E+01
 -----------------------------------------------------------------------------------------------
   0.104E-04 0.364E-05 -.155E-02   -.971E-14 0.313E-14 -.284E-13   -.114E-04 -.406E-05 0.362E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.023459
      0.00000      0.00000      2.37175        -0.000000     -0.000000     -0.008177
      1.42873      0.82488      4.68684         0.000000      0.000000     -0.000691
      2.85746      1.64976      7.00186         0.000000     -0.000000      0.012220
      0.00000      0.00000      9.37582        -0.000000     -0.000000      0.020106
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000     -0.001195


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90436954 eV

  energy  without entropy=      -13.89773012  energy(sigma->0) =      -13.90215640
 
 d Force =-0.8336800E-08[-0.626E-06, 0.609E-06]  d Energy = 0.6525210E-05-0.653E-05
 d Force =-0.3704258E-02[-0.370E-02,-0.370E-02]  d Ewald  =-0.3704258E-02-0.148E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9598: real time      1.9714


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.300E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.1820
 eigenvalue spectrum of G is  0.1820


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0659
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0847: real time      0.0851
    POTLOK:  cpu time      1.9613: real time      1.9734
    EDDIAG:  cpu time    589.7350: real time    594.6849
    CHARGE:  cpu time      0.2674: real time      0.2696
 writing wavefunctions
     LOOP+:  cpu time   8136.7287: real time   8205.5056


--------------------------------------- Iteration     61(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7251: real time      0.7313
    SETDIJ:  cpu time      1.2404: real time      1.2458
    TRIAL :  cpu time    593.9485: real time    598.9877
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    596.1968: real time    601.2508

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9838666E-05  (-0.1187666E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009637 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.90485945
  -Hartree energ DENC   =      -699.85224441
  -exchange      EXHF   =        33.25286405
  -V(xc)+E(xc)   XCENC  =       -83.55325681
  PAW double counting   =    100999.52512452  -100898.56593686
  entropy T*S    EENTRO =        -0.00659627
  eigenvalues    EBANDS =       -35.19057446
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437749 eV

  energy without entropy =      -13.89778122  energy(sigma->0) =      -13.90217874
  exchange ACFDT corr.  =        -0.00589268  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     61(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2439: real time      1.2493
    TRIAL :  cpu time    588.2621: real time    593.2967
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    590.5028: real time    595.5512

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2893925E-05  (-0.1065442E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009652 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.90485945
  -Hartree energ DENC   =      -699.85994473
  -exchange      EXHF   =        33.25284614
  -V(xc)+E(xc)   XCENC  =       -83.55325818
  PAW double counting   =    100998.48206383  -100897.52287709
  entropy T*S    EENTRO =        -0.00659442
  eigenvalues    EBANDS =       -35.18285779
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438038 eV

  energy without entropy =      -13.89778597  energy(sigma->0) =      -13.90218225
  exchange ACFDT corr.  =        -0.00589185  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     61(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2452: real time      1.2506
    TRIAL :  cpu time    592.9936: real time    597.9506
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.3006: real time    594.2319
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time   1184.5357: real time   1194.4378

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5881942E-05  (-0.2553706E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009669 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.90485945
  -Hartree energ DENC   =      -699.86185819
  -exchange      EXHF   =        33.25274995
  -V(xc)+E(xc)   XCENC  =       -83.55326902
  PAW double counting   =    100996.92013740  -100895.96095146
  entropy T*S    EENTRO =        -0.00659230
  eigenvalues    EBANDS =       -35.18089535
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438627 eV

  energy without entropy =      -13.89779397  energy(sigma->0) =      -13.90218883
  exchange ACFDT corr.  =        -0.00589022  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.2020


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9002       2 -69.7767       3 -69.7688       4 -69.7736       5 -69.8950
 
 
 
 E-fermi :   3.1547     XC(G=0):  -5.1223     alpha+bet : -8.9779

 Fermi energy:         3.1546623956

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8907      1.00000
      2      -9.9596      1.00000
      3      -8.6058      1.00000
      4      -6.7738      1.00000
      5      -4.3330      1.00000
      6      -1.5908      1.00000
      7       1.6275      1.00000
      8       4.6130     -0.00000
      9       5.4027     -0.00000
     10       7.9244     -0.00000
     11       7.9798     -0.00000
     12      11.8853      0.00000
     13      12.1815      0.00000
     14      16.0588      0.00000
     15      16.0629      0.00000
     16      16.0692      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7577      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7583      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7661      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5903      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5905      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5912      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8124      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8123      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8123      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6214      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6215      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0333      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0332      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0334      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0334      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0332      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0333      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0347      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0429      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0449      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8248      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8284      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8241      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8464      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8388      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8520      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6778      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6778      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2292     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2298     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8690      1.00000
      2      -0.8679      1.00000
      3      -0.8394      1.00000
      4      -0.0041      1.00000
      5       0.0919      1.00000
      6       0.0933      1.00000
      7       1.1087      1.00000
      8       1.1101      1.00000
      9       1.8008      1.00000
     10       2.6674      1.00152
     11       4.0813     -0.00000
     12       4.0825     -0.00000
     13       5.9849     -0.00000
     14       5.9858     -0.00000
     15       6.0682     -0.00000
     16       8.0137     -0.00000
 Fermi energy:         3.1546623956

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8907      1.00000
      2      -9.9596      1.00000
      3      -8.6058      1.00000
      4      -6.7738      1.00000
      5      -4.3330      1.00000
      6      -1.5908      1.00000
      7       1.6275      1.00000
      8       4.6130     -0.00000
      9       5.4027     -0.00000
     10       7.9244     -0.00000
     11       7.9798     -0.00000
     12      11.8853      0.00000
     13      12.1815      0.00000
     14      16.0588      0.00000
     15      16.0614      0.00000
     16      16.0693      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6822      1.00000
      2      -9.7505      1.00000
      3      -8.3956      1.00000
      4      -6.5620      1.00000
      5      -4.1171      1.00000
      6      -1.3807      1.00000
      7       1.8410      1.00000
      8       4.7960     -0.00000
      9       5.5771     -0.00000
     10       8.0924     -0.00000
     11       8.1449     -0.00000
     12      12.0152      0.00000
     13      12.2765      0.00000
     14      13.1224      0.00000
     15      13.8780      0.00000
     16      14.3229      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7607      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7578      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0568      1.00000
      2      -9.1230      1.00000
      3      -7.7649      1.00000
      4      -5.9265      1.00000
      5      -3.4704      1.00000
      6      -0.7517      1.00000
      7       2.4669      1.00001
      8       5.3286     -0.00000
      9       6.0950     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7281      0.00000
     13      10.2974      0.00000
     14      11.3902      0.00000
     15      12.4978      0.00000
     16      12.7582      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5904      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5910      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0138      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8675      1.00000
      5      -2.3987      1.00000
      6       0.2859      1.00000
      7       3.4230     -0.03363
      8       5.6439     -0.00000
      9       6.5343     -0.00000
     10       6.8893     -0.00000
     11       7.0418     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5718      0.00000
     15       9.7997      0.00000
     16      11.5906      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8124      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8127      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5513      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3884      1.00000
      5      -0.9328      1.00000
      6       1.5769      1.00000
      7       2.5454      1.00007
      8       3.5525     -0.00831
      9       4.8163     -0.00000
     10       5.1395     -0.00000
     11       6.5090     -0.00000
     12       7.6361     -0.00000
     13       8.2048     -0.00000
     14       8.7129      0.00000
     15      10.5104      0.00000
     16      10.8125      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6653      1.00000
      2      -4.7144      1.00000
      3      -3.3430      1.00000
      4      -1.5339      1.00000
      5      -0.6704      1.00000
      6       0.1430      1.00000
      7       1.1220      1.00000
      8       2.0284      1.00000
      9       3.6377     -0.00168
     10       3.7391     -0.00014
     11       5.9338     -0.00000
     12       6.7142     -0.00000
     13       8.2340     -0.00000
     14       9.1827      0.00000
     15       9.7438      0.00000
     16      10.4009      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3650      1.00000
      2      -3.3479      1.00000
      3      -2.4119      1.00000
      4      -2.4097      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3677      1.00000
      9       3.3857     -0.03464
     10       3.5279     -0.01200
     11       5.6719     -0.00000
     12       6.0173     -0.00000
     13       8.4138     -0.00000
     14       8.8640      0.00000
     15      10.2334      0.00000
     16      10.5326      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6213      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2653      1.00000
      2      -9.3322      1.00000
      3      -7.9752      1.00000
      4      -6.1384      1.00000
      5      -3.6858      1.00000
      6      -0.9611      1.00000
      7       2.2611      1.00000
      8       5.1555     -0.00000
      9       5.9238     -0.00000
     10       8.4173     -0.00000
     11       8.4536     -0.00000
     12      11.4255      0.00000
     13      11.4417      0.00000
     14      11.9023      0.00000
     15      12.0432      0.00000
     16      12.6265      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4312      1.00000
      2      -8.4950      1.00000
      3      -7.1337      1.00000
      4      -5.2910      1.00000
      5      -2.8262      1.00000
      6      -0.1261      1.00000
      7       3.0659      0.83691
      8       5.8099     -0.00000
      9       6.5924     -0.00000
     10       7.8556     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8496      0.00000
     15      10.1813      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0332      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0333      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0332      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0332      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0347      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1786      1.00000
      2      -7.2374      1.00000
      3      -5.8697      1.00000
      4      -4.0211      1.00000
      5      -1.5514      1.00000
      6       1.0920      1.00000
      7       3.8129     -0.00002
      8       4.6896     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0738     -0.00000
     12       7.6884     -0.00000
     13       8.1701     -0.00000
     14       8.8948      0.00000
     15       9.6202      0.00000
     16      10.0333      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5047      1.00000
      2      -5.5565      1.00000
      3      -4.1833      1.00000
      4      -2.3417      1.00000
      5       0.0184      1.00000
      6       1.0013      1.00000
      7       1.9994      1.00000
      8       2.9927      0.99252
      9       3.5343     -0.01097
     10       5.1818     -0.00000
     11       5.9079     -0.00000
     12       7.3283     -0.00000
     13       7.9819     -0.00000
     14       8.6410      0.00000
     15       9.0963      0.00000
     16       9.1429      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4061      1.00000
      2      -3.4543      1.00000
      3      -2.0997      1.00000
      4      -1.8946      1.00000
      5      -1.0149      1.00000
      6      -0.3635      1.00000
      7       0.6490      1.00000
      8       2.2820      1.00000
      9       2.6596      1.00129
     10       4.7400     -0.00000
     11       4.8986     -0.00000
     12       7.0254     -0.00000
     13       7.4918     -0.00000
     14       8.0213     -0.00000
     15       8.8657      0.00000
     16       9.6996      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0353      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0375      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3877      1.00000
      2      -7.4473      1.00000
      3      -6.0806      1.00000
      4      -4.2325      1.00000
      5      -1.7611      1.00000
      6       0.9001      1.00000
      7       3.9623     -0.00000
      8       6.0170     -0.00000
      9       6.4967     -0.00000
     10       7.2401     -0.00000
     11       7.3126     -0.00000
     12       7.5192     -0.00000
     13       7.5954     -0.00000
     14       8.3910     -0.00000
     15       8.7514      0.00000
     16      10.0368      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9242      1.00000
      2      -5.9777      1.00000
      3      -4.6049      1.00000
      4      -2.7568      1.00000
      5      -0.3127      1.00000
      6       2.1620      1.00000
      7       3.1344      0.58632
      8       4.1268     -0.00000
      9       5.0904     -0.00000
     10       5.3703     -0.00000
     11       5.9186     -0.00000
     12       6.4977     -0.00000
     13       7.0118     -0.00000
     14       7.7629     -0.00000
     15       8.4006     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8316      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6001      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8226      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8286      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8349      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6002      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8302      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0374      1.00000
      2      -4.0852      1.00000
      3      -2.7146      1.00000
      4      -0.9159      1.00000
      5      -0.0539      1.00000
      6       0.7450      1.00000
      7       1.7126      1.00000
      8       2.6001      1.00031
      9       4.0703     -0.00000
     10       4.2589     -0.00000
     11       4.8667     -0.00000
     12       5.7488     -0.00000
     13       6.6322     -0.00000
     14       7.4068     -0.00000
     15       7.5298     -0.00000
     16       8.8507      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7393      1.00000
      2      -2.7219      1.00000
      3      -1.7978      1.00000
      4      -1.7778      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9606      1.00000
      9       3.7801     -0.00005
     10       3.8989     -0.00000
     11       4.7249     -0.00000
     12       5.7713     -0.00000
     13       6.3913     -0.00000
     14       6.7593     -0.00000
     15       7.1359     -0.00000
     16       8.6654      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2480      1.00000
      2      -4.2961      1.00000
      3      -2.9227      1.00000
      4      -1.0989      1.00000
      5       1.1531      1.00000
      6       2.1007      1.00000
      7       2.2646      1.00000
      8       3.0052      0.97567
      9       3.4710     -0.02396
     10       4.2395     -0.00000
     11       4.4919     -0.00000
     12       4.8639     -0.00000
     13       6.1978     -0.00000
     14       6.8399     -0.00000
     15       7.2544     -0.00000
     16       8.6776      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40084
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40084
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2292     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2291     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1501      1.00000
      2      -2.2016      1.00000
      3      -0.8627      1.00000
      4      -0.6485      1.00000
      5       0.2080      1.00000
      6       0.8192      1.00000
      7       1.7566      1.00000
      8       1.8356      1.00000
      9       2.5809      1.00019
     10       3.1784      0.40085
     11       4.1319     -0.00000
     12       4.6644     -0.00000
     13       6.0476     -0.00000
     14       6.1447     -0.00000
     15       6.3613     -0.00000
     16       8.2292     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8690      1.00000
      2      -0.8679      1.00000
      3      -0.8394      1.00000
      4      -0.0041      1.00000
      5       0.0919      1.00000
      6       0.0933      1.00000
      7       1.1087      1.00000
      8       1.1101      1.00000
      9       1.8008      1.00000
     10       2.6674      1.00152
     11       4.0813     -0.00000
     12       4.0825     -0.00000
     13       5.9849     -0.00000
     14       5.9858     -0.00000
     15       6.0682     -0.00000
     16       8.0138     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768  -0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.497  -0.000  -0.003  -0.000   0.000  -0.010  -0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.961 -61.934   0.000  -0.153   0.000  -0.000  -0.011  -0.000
-61.934  33.079  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.153   0.073  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    427.2332: real time    430.2662
    FORNL :  cpu time      0.4971: real time      0.5030
    FORCOR:  cpu time      1.9663: real time      1.9778
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.142E-05 -.302E-05 0.182E+03   0.403E-13 0.248E-13 -.181E+03   -.126E-05 0.297E-05 -.106E+01
   0.120E-06 0.203E-05 0.923E+02   0.130E-13 0.889E-14 -.922E+02   -.164E-06 -.167E-05 -.814E-01
   0.129E-05 -.726E-06 -.245E-01   -.149E-12 -.888E-13 0.282E-01   -.143E-05 0.314E-06 -.190E-02
   0.121E-05 0.297E-05 -.924E+02   0.130E-12 0.808E-13 0.923E+02   -.106E-05 -.392E-05 0.831E-01
   -.118E-05 -.100E-05 -.181E+03   -.437E-13 -.225E-13 0.181E+03   0.796E-06 0.130E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.204E-05 -.272E-06 0.164E-01   -.971E-14 0.313E-14 0.284E-13   -.312E-05 -.101E-05 -.167E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.023875
      0.00000      0.00000      2.37153        -0.000000      0.000001     -0.001649
      1.42873      0.82488      4.68699        -0.000001     -0.000001      0.001989
      2.85746      1.64976      7.00256         0.000001     -0.000000      0.007434
      0.00000      0.00000      9.37627        -0.000001      0.000000      0.016101
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000001     -0.001328


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90438627 eV

  energy  without entropy=      -13.89779397  energy(sigma->0) =      -13.90218883
 
 d Force = 0.1617312E-04[ 0.131E-04, 0.193E-04]  d Energy = 0.1673057E-04-0.557E-06
 d Force = 0.1658524E+00[ 0.166E+00, 0.166E+00]  d Ewald  = 0.1658524E+00-0.100E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9636: real time      1.9753


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.155E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.8164
 eigenvalue spectrum of G is  0.2148  1.4181


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2251: real time      1.2881
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9635: real time      1.9760
    EDDIAG:  cpu time    592.0812: real time    597.0622
    CHARGE:  cpu time      0.2686: real time      0.2708
 writing wavefunctions
     LOOP+:  cpu time   3399.4662: real time   3427.7261


--------------------------------------- Iteration     62(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7310
    SETDIJ:  cpu time      1.2417: real time      1.2474
    TRIAL :  cpu time    592.4950: real time    597.5786
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time    594.7440: real time    599.8428

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2165210E-03  (-0.9653276E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009725 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.66669238
  -exchange      EXHF   =        33.25186288
  -V(xc)+E(xc)   XCENC  =       -83.55356686
  PAW double counting   =    100989.69339379  -100888.73412370
  entropy T*S    EENTRO =        -0.00654938
  eigenvalues    EBANDS =       -35.14848391
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90416386 eV

  energy without entropy =      -13.89761448  energy(sigma->0) =      -13.90198074
  exchange ACFDT corr.  =        -0.00585286  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    591.6858: real time    596.7286
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.9142: real time    598.9713

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8357482E-04  (-0.7933695E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009742 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.63124587
  -exchange      EXHF   =        33.25167204
  -V(xc)+E(xc)   XCENC  =       -83.55363363
  PAW double counting   =    100988.37315702  -100887.41388844
  entropy T*S    EENTRO =        -0.00654703
  eigenvalues    EBANDS =       -35.18359183
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90408029 eV

  energy without entropy =      -13.89753326  energy(sigma->0) =      -13.90189795
  exchange ACFDT corr.  =        -0.00584914  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7297
    SETDIJ:  cpu time      1.2295: real time      1.2349
    TRIAL :  cpu time    590.9265: real time    595.9478
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.1527: real time    598.1885

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3027340E-03  ( 0.6592067E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009762 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.61835040
  -exchange      EXHF   =        33.25153059
  -V(xc)+E(xc)   XCENC  =       -83.55368004
  PAW double counting   =    100986.94250052  -100885.98324164
  entropy T*S    EENTRO =        -0.00654560
  eigenvalues    EBANDS =       -35.19659484
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438302 eV

  energy without entropy =      -13.89783742  energy(sigma->0) =      -13.90220115
  exchange ACFDT corr.  =        -0.00584650  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7290
    SETDIJ:  cpu time      1.2303: real time      1.2360
    TRIAL :  cpu time    591.7618: real time    596.8309
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    593.9881: real time    599.0714

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1141640E-04  (-0.1590457E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009778 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.62832007
  -exchange      EXHF   =        33.25148446
  -V(xc)+E(xc)   XCENC  =       -83.55369237
  PAW double counting   =    100985.82483749  -100884.86558464
  entropy T*S    EENTRO =        -0.00654365
  eigenvalues    EBANDS =       -35.18655068
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437161 eV

  energy without entropy =      -13.89782796  energy(sigma->0) =      -13.90219039
  exchange ACFDT corr.  =        -0.00584481  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2316: real time      1.2373
    TRIAL :  cpu time    587.2470: real time    592.3039
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2700: real time      0.2722
    --------------------------------------------
      LOOP:  cpu time    589.4755: real time    594.5463

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1267879E-05  (-0.1025151E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009787 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.63488111
  -exchange      EXHF   =        33.25147540
  -V(xc)+E(xc)   XCENC  =       -83.55369355
  PAW double counting   =    100985.19116809  -100884.23191344
  entropy T*S    EENTRO =        -0.00654096
  eigenvalues    EBANDS =       -35.17998190
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437034 eV

  energy without entropy =      -13.89782938  energy(sigma->0) =      -13.90219002
  exchange ACFDT corr.  =        -0.00584297  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7282
    SETDIJ:  cpu time      1.2332: real time      1.2385
    TRIAL :  cpu time    592.1540: real time    597.2121
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.3825: real time    599.4546

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4234069E-04  ( 0.2196262E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009789 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.63190786
  -exchange      EXHF   =        33.25147021
  -V(xc)+E(xc)   XCENC  =       -83.55369272
  PAW double counting   =    100985.24874223  -100884.28948147
  entropy T*S    EENTRO =        -0.00653840
  eigenvalues    EBANDS =       -35.18300190
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90441268 eV

  energy without entropy =      -13.89787428  energy(sigma->0) =      -13.90223321
  exchange ACFDT corr.  =        -0.00584071  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7297
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    590.6348: real time    595.7345
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    592.8626: real time    597.9764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4163579E-05  (-0.2553659E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009786 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.62870473
  -exchange      EXHF   =        33.25147005
  -V(xc)+E(xc)   XCENC  =       -83.55369047
  PAW double counting   =    100985.97111003  -100885.01185602
  entropy T*S    EENTRO =        -0.00653659
  eigenvalues    EBANDS =       -35.18619878
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440852 eV

  energy without entropy =      -13.89787192  energy(sigma->0) =      -13.90222965
  exchange ACFDT corr.  =        -0.00583858  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    591.7229: real time    596.7736
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    593.9503: real time    599.0155

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1422435E-05  (-0.1273884E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009781 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.63045777
  -exchange      EXHF   =        33.25147802
  -V(xc)+E(xc)   XCENC  =       -83.55368578
  PAW double counting   =    100986.97569906  -100886.01645100
  entropy T*S    EENTRO =        -0.00653510
  eigenvalues    EBANDS =       -35.18445567
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440994 eV

  energy without entropy =      -13.89787484  energy(sigma->0) =      -13.90223157
  exchange ACFDT corr.  =        -0.00583699  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     62(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7291
    SETDIJ:  cpu time      1.2315: real time      1.2373
    TRIAL :  cpu time    588.7175: real time    593.7335
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    586.2318: real time    591.1733
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time   1177.1782: real time   1187.1499

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5785594E-05  ( 0.1867452E-06)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009774 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.67861556
  -Hartree energ DENC   =      -699.63326042
  -exchange      EXHF   =        33.25147412
  -V(xc)+E(xc)   XCENC  =       -83.55368281
  PAW double counting   =    100987.97797201  -100887.01872195
  entropy T*S    EENTRO =        -0.00653351
  eigenvalues    EBANDS =       -35.18166970
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90441572 eV

  energy without entropy =      -13.89788221  energy(sigma->0) =      -13.90223789
  exchange ACFDT corr.  =        -0.00583561  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0914


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8954       2 -69.7741       3 -69.7693       4 -69.7773       5 -69.9004
 
 
 
 E-fermi :   3.1545     XC(G=0):  -5.1225     alpha+bet : -8.9779

 Fermi energy:         3.1545236065

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9596      1.00000
      3      -8.6059      1.00000
      4      -6.7740      1.00000
      5      -4.3341      1.00000
      6      -1.5913      1.00000
      7       1.6256      1.00000
      8       4.6122     -0.00000
      9       5.4029     -0.00000
     10       7.9245     -0.00000
     11       7.9793     -0.00000
     12      11.8852      0.00000
     13      12.1810      0.00000
     14      16.0594      0.00000
     15      16.0635      0.00000
     16      16.0698      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7575      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7581      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7652      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5897      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5898      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5904      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8121      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8120      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8119      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0327      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0326      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0344      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0427      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0450      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8244      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8277      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8237      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8453      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8381      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8511      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6769      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6771      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6771      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2285     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39990
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2285     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39990
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8679      1.00000
      2      -0.8676      1.00000
      3      -0.8387      1.00000
      4      -0.0038      1.00000
      5       0.0926      1.00000
      6       0.0928      1.00000
      7       1.1091      1.00000
      8       1.1097      1.00000
      9       1.8009      1.00000
     10       2.6675      1.00154
     11       4.0805     -0.00000
     12       4.0830     -0.00000
     13       5.9838     -0.00000
     14       5.9854     -0.00000
     15       6.0671     -0.00000
     16       8.0135     -0.00000
 Fermi energy:         3.1545236065

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9596      1.00000
      3      -8.6059      1.00000
      4      -6.7740      1.00000
      5      -4.3341      1.00000
      6      -1.5913      1.00000
      7       1.6256      1.00000
      8       4.6122     -0.00000
      9       5.4029     -0.00000
     10       7.9245     -0.00000
     11       7.9793     -0.00000
     12      11.8852      0.00000
     13      12.1810      0.00000
     14      16.0594      0.00000
     15      16.0619      0.00000
     16      16.0698      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7505      1.00000
      3      -8.3958      1.00000
      4      -6.5622      1.00000
      5      -4.1181      1.00000
      6      -1.3813      1.00000
      7       1.8391      1.00000
      8       4.7953     -0.00000
      9       5.5773     -0.00000
     10       8.0924     -0.00000
     11       8.1444     -0.00000
     12      12.0152      0.00000
     13      12.2762      0.00000
     14      13.1228      0.00000
     15      13.8780      0.00000
     16      14.3235      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7604      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7576      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1230      1.00000
      3      -7.7650      1.00000
      4      -5.9267      1.00000
      5      -3.4714      1.00000
      6      -0.7522      1.00000
      7       2.4651      1.00001
      8       5.3278     -0.00000
      9       6.0952     -0.00000
     10       8.4752     -0.00000
     11       8.6207      0.00000
     12       9.7284      0.00000
     13      10.2975      0.00000
     14      11.3901      0.00000
     15      12.4976      0.00000
     16      12.7580      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5897      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5903      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0761      1.00000
      3      -6.7126      1.00000
      4      -4.8676      1.00000
      5      -2.3997      1.00000
      6       0.2854      1.00000
      7       3.4215     -0.03383
      8       5.6441     -0.00000
      9       6.5342     -0.00000
     10       6.8892     -0.00000
     11       7.0420     -0.00000
     12       8.0775     -0.00000
     13       9.3945      0.00000
     14       9.5716      0.00000
     15       9.7993      0.00000
     16      11.5899      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8120      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8124      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6073      1.00000
      3      -5.2370      1.00000
      4      -3.3885      1.00000
      5      -0.9337      1.00000
      6       1.5767      1.00000
      7       2.5460      1.00007
      8       3.5525     -0.00827
      9       4.8161     -0.00000
     10       5.1382     -0.00000
     11       6.5089     -0.00000
     12       7.6355     -0.00000
     13       8.2050     -0.00000
     14       8.7121      0.00000
     15      10.5104      0.00000
     16      10.8122      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7143      1.00000
      3      -3.3431      1.00000
      4      -1.5340      1.00000
      5      -0.6697      1.00000
      6       0.1429      1.00000
      7       1.1216      1.00000
      8       2.0282      1.00000
      9       3.6377     -0.00167
     10       3.7387     -0.00014
     11       5.9330     -0.00000
     12       6.7129     -0.00000
     13       8.2335     -0.00000
     14       9.1822      0.00000
     15       9.7441      0.00000
     16      10.4015      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3644      1.00000
      2      -3.3472      1.00000
      3      -2.4118      1.00000
      4      -2.4096      1.00000
      5      -1.2782      1.00000
      6      -0.8897      1.00000
      7       0.6253      1.00000
      8       1.3676      1.00000
      9       3.3850     -0.03457
     10       3.5269     -0.01216
     11       5.6716     -0.00000
     12       6.0169     -0.00000
     13       8.4125     -0.00000
     14       8.8631      0.00000
     15      10.2340      0.00000
     16      10.5324      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6210      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3322      1.00000
      3      -7.9753      1.00000
      4      -6.1386      1.00000
      5      -3.6868      1.00000
      6      -0.9616      1.00000
      7       2.2592      1.00000
      8       5.1548     -0.00000
      9       5.9240     -0.00000
     10       8.4173     -0.00000
     11       8.4532     -0.00000
     12      11.4261      0.00000
     13      11.4422      0.00000
     14      11.9023      0.00000
     15      12.0431      0.00000
     16      12.6259      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4306      1.00000
      2      -8.4950      1.00000
      3      -7.1338      1.00000
      4      -5.2912      1.00000
      5      -2.8271      1.00000
      6      -0.1266      1.00000
      7       3.0642      0.84177
      8       5.8092     -0.00000
      9       6.5926     -0.00000
     10       7.8562     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8495      0.00000
     15      10.1816      0.00000
     16      10.7414      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0325      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0336      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2374      1.00000
      3      -5.8698      1.00000
      4      -4.0213      1.00000
      5      -1.5524      1.00000
      6       1.0916      1.00000
      7       3.8125     -0.00002
      8       4.6894     -0.00000
      9       5.4305     -0.00000
     10       6.5196     -0.00000
     11       7.0734     -0.00000
     12       7.6886     -0.00000
     13       8.1701     -0.00000
     14       8.8953      0.00000
     15       9.6201      0.00000
     16      10.0326      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5564      1.00000
      3      -4.1833      1.00000
      4      -2.3418      1.00000
      5       0.0177      1.00000
      6       1.0020      1.00000
      7       1.9995      1.00000
      8       2.9924      0.99264
      9       3.5342     -0.01095
     10       5.1817     -0.00000
     11       5.9067     -0.00000
     12       7.3277     -0.00000
     13       7.9819     -0.00000
     14       8.6408      0.00000
     15       9.0964      0.00000
     16       9.1427      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4542      1.00000
      3      -2.0997      1.00000
      4      -1.8939      1.00000
      5      -1.0148      1.00000
      6      -0.3635      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7393     -0.00000
     11       4.8982     -0.00000
     12       7.0252     -0.00000
     13       7.4915     -0.00000
     14       8.0210     -0.00000
     15       8.8653      0.00000
     16       9.6991      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0350      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0373      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4473      1.00000
      3      -6.0807      1.00000
      4      -4.2326      1.00000
      5      -1.7621      1.00000
      6       0.8997      1.00000
      7       3.9610     -0.00000
      8       6.0171     -0.00000
      9       6.4972     -0.00000
     10       7.2403     -0.00000
     11       7.3124     -0.00000
     12       7.5192     -0.00000
     13       7.5955     -0.00000
     14       8.3910     -0.00000
     15       8.7513      0.00000
     16      10.0366      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9777      1.00000
      3      -4.6050      1.00000
      4      -2.7568      1.00000
      5      -0.3136      1.00000
      6       2.1618      1.00000
      7       3.1350      0.58274
      8       4.1269     -0.00000
      9       5.0903     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4974     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.4001     -0.00000
     16       8.7492      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8309      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.5999      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8222      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8278      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8339      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.6000      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8294      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0852      1.00000
      3      -2.7147      1.00000
      4      -0.9159      1.00000
      5      -0.0532      1.00000
      6       0.7449      1.00000
      7       1.7122      1.00000
      8       2.5999      1.00031
      9       4.0703     -0.00000
     10       4.2587     -0.00000
     11       4.8672     -0.00000
     12       5.7487     -0.00000
     13       6.6317     -0.00000
     14       7.4064     -0.00000
     15       7.5285     -0.00000
     16       8.8496      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7976      1.00000
      4      -1.7778      1.00000
      5      -0.6640      1.00000
      6      -0.2768      1.00000
      7       1.2257      1.00000
      8       1.9605      1.00000
      9       3.7796     -0.00005
     10       3.8984     -0.00000
     11       4.7250     -0.00000
     12       5.7713     -0.00000
     13       6.3912     -0.00000
     14       6.7589     -0.00000
     15       7.1358     -0.00000
     16       8.6653      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6770      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6769      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2474      1.00000
      2      -4.2961      1.00000
      3      -2.9228      1.00000
      4      -1.0989      1.00000
      5       1.1525      1.00000
      6       2.1013      1.00000
      7       2.2652      1.00000
      8       3.0054      0.97489
      9       3.4710     -0.02389
     10       4.2394     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1978     -0.00000
     14       6.8397     -0.00000
     15       7.2530     -0.00000
     16       8.6770      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2285     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39990
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39989
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39990
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.2015      1.00000
      3      -0.8627      1.00000
      4      -0.6478      1.00000
      5       0.2081      1.00000
      6       0.8192      1.00000
      7       1.7571      1.00000
      8       1.8357      1.00000
      9       2.5809      1.00019
     10       3.1784      0.39990
     11       4.1314     -0.00000
     12       4.6642     -0.00000
     13       6.0472     -0.00000
     14       6.1444     -0.00000
     15       6.3607     -0.00000
     16       8.2286     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8679      1.00000
      2      -0.8676      1.00000
      3      -0.8387      1.00000
      4      -0.0038      1.00000
      5       0.0926      1.00000
      6       0.0928      1.00000
      7       1.1091      1.00000
      8       1.1097      1.00000
      9       1.8009      1.00000
     10       2.6675      1.00154
     11       4.0805     -0.00000
     12       4.0830     -0.00000
     13       5.9838     -0.00000
     14       5.9854     -0.00000
     15       6.0671     -0.00000
     16       8.0135     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.961 -61.934   0.000  -0.152   0.000  -0.000  -0.011  -0.000
-61.934  33.079  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.152   0.073  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.3312: real time    429.4010
    FORNL :  cpu time      0.4997: real time      0.5057
    FORCOR:  cpu time      1.9502: real time      1.9617
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.176E-05 0.104E-05 0.182E+03   0.384E-13 0.234E-13 -.181E+03   -.206E-05 -.115E-05 -.106E+01
   -.409E-08 0.479E-06 0.923E+02   0.621E-14 0.624E-14 -.922E+02   -.124E-06 -.553E-06 -.845E-01
   0.629E-06 0.171E-06 -.380E-01   -.146E-12 -.861E-13 0.294E-01   -.192E-06 0.506E-07 0.111E-02
   -.176E-05 0.194E-07 -.923E+02   0.135E-12 0.801E-13 0.923E+02   0.183E-05 0.484E-06 0.942E-01
   0.114E-05 0.152E-05 -.181E+03   -.430E-13 -.205E-13 0.180E+03   -.934E-06 -.160E-05 0.105E+01
 -----------------------------------------------------------------------------------------------
   0.680E-06 0.271E-05 -.182E-01   -.971E-14 0.313E-14 -.853E-13   -.148E-05 -.277E-05 0.124E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000     -0.000000     -0.020211
      0.00000      0.00000      2.37159         0.000000      0.000000     -0.007901
      1.42873      0.82488      4.68740        -0.000001     -0.000000     -0.004161
      2.85746      1.64976      7.00339         0.000001      0.000001      0.008125
      0.00000      0.00000      9.37713        -0.000000     -0.000000      0.024147
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000     -0.017015


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90441572 eV

  energy  without entropy=      -13.89788221  energy(sigma->0) =      -13.90223789
 
 d Force = 0.2303857E-04[ 0.253E-04, 0.207E-04]  d Energy = 0.2945702E-04-0.642E-05
 d Force = 0.2262439E+00[ 0.226E+00, 0.226E+00]  d Ewald  = 0.2262439E+00-0.572E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9509: real time      1.9628


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.352E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.6696
 eigenvalue spectrum of G is  0.6696


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0772
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9513: real time      1.9635
    EDDIAG:  cpu time    587.5302: real time    592.4813
    CHARGE:  cpu time      0.2686: real time      0.2708
 writing wavefunctions
     LOOP+:  cpu time   6945.1616: real time   7004.0749


--------------------------------------- Iteration     63(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7248: real time      0.7308
    SETDIJ:  cpu time      1.2426: real time      1.2480
    TRIAL :  cpu time    592.5272: real time    597.6536
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    594.7783: real time    599.9191

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8489215E-03  (-0.3366111E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009728 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.92873796
  -exchange      EXHF   =        33.25257960
  -V(xc)+E(xc)   XCENC  =       -83.55332487
  PAW double counting   =    100995.14971991  -100894.19057044
  entropy T*S    EENTRO =        -0.00658567
  eigenvalues    EBANDS =       -35.23794448
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90356102 eV

  energy without entropy =      -13.89697534  energy(sigma->0) =      -13.90136579
  exchange ACFDT corr.  =        -0.00587320  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2438: real time      1.2495
    TRIAL :  cpu time    591.6044: real time    596.6022
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.8448: real time    598.8568

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3087915E-03  (-0.2711378E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009713 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.97795241
  -exchange      EXHF   =        33.25286106
  -V(xc)+E(xc)   XCENC  =       -83.55323290
  PAW double counting   =    100996.48748313  -100895.52831456
  entropy T*S    EENTRO =        -0.00659147
  eigenvalues    EBANDS =       -35.18881024
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90325223 eV

  energy without entropy =      -13.89666075  energy(sigma->0) =      -13.90105507
  exchange ACFDT corr.  =        -0.00587712  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7293
    SETDIJ:  cpu time      1.2412: real time      1.2468
    TRIAL :  cpu time    594.3620: real time    599.4212
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    596.6006: real time    601.6737

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1041854E-02  ( 0.5229360E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009697 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.99354798
  -exchange      EXHF   =        33.25306481
  -V(xc)+E(xc)   XCENC  =       -83.55316552
  PAW double counting   =    100997.97813732  -100897.01899579
  entropy T*S    EENTRO =        -0.00659304
  eigenvalues    EBANDS =       -35.17449482
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90429408 eV

  energy without entropy =      -13.89770104  energy(sigma->0) =      -13.90209640
  exchange ACFDT corr.  =        -0.00588252  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2423: real time      1.2477
    TRIAL :  cpu time    592.7812: real time    597.8351
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    595.0187: real time    600.0868

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7129271E-04  (-0.5748993E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009683 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.98315139
  -exchange      EXHF   =        33.25315095
  -V(xc)+E(xc)   XCENC  =       -83.55314113
  PAW double counting   =    100999.15805363  -100898.19893151
  entropy T*S    EENTRO =        -0.00659484
  eigenvalues    EBANDS =       -35.18490966
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90422279 eV

  energy without entropy =      -13.89762795  energy(sigma->0) =      -13.90202451
  exchange ACFDT corr.  =        -0.00588471  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7287
    SETDIJ:  cpu time      1.2400: real time      1.2454
    TRIAL :  cpu time    591.5086: real time    596.5403
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2686: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.7437: real time    598.7900

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2066474E-05  (-0.3361913E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009672 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.97680701
  -exchange      EXHF   =        33.25319211
  -V(xc)+E(xc)   XCENC  =       -83.55313090
  PAW double counting   =    100999.96729986  -100899.00817031
  entropy T*S    EENTRO =        -0.00659847
  eigenvalues    EBANDS =       -35.19131313
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90422485 eV

  energy without entropy =      -13.89762639  energy(sigma->0) =      -13.90202536
  exchange ACFDT corr.  =        -0.00588675  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7285
    SETDIJ:  cpu time      1.2388: real time      1.2441
    TRIAL :  cpu time    592.1881: real time    597.2389
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    594.4229: real time    599.4875

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1436142E-03  ( 0.9605913E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009662 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.98147545
  -exchange      EXHF   =        33.25322077
  -V(xc)+E(xc)   XCENC  =       -83.55312167
  PAW double counting   =    101000.61369493  -100899.65455907
  entropy T*S    EENTRO =        -0.00660131
  eigenvalues    EBANDS =       -35.18682888
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90436847 eV

  energy without entropy =      -13.89776715  energy(sigma->0) =      -13.90216803
  exchange ACFDT corr.  =        -0.00588981  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7288
    SETDIJ:  cpu time      1.2393: real time      1.2449
    TRIAL :  cpu time    593.2165: real time    598.2891
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2691: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    595.4519: real time    600.5391

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1992467E-04  (-0.9425042E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009654 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.98610172
  -exchange      EXHF   =        33.25322859
  -V(xc)+E(xc)   XCENC  =       -83.55311972
  PAW double counting   =    101001.05993618  -100900.10078595
  entropy T*S    EENTRO =        -0.00660307
  eigenvalues    EBANDS =       -35.18220397
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434854 eV

  energy without entropy =      -13.89774547  energy(sigma->0) =      -13.90214752
  exchange ACFDT corr.  =        -0.00589221  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2371: real time      1.2426
    TRIAL :  cpu time    592.5743: real time    597.6297
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    594.8072: real time    599.8764

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7326249E-05  (-0.4052626E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009647 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.98349122
  -exchange      EXHF   =        33.25321453
  -V(xc)+E(xc)   XCENC  =       -83.55312468
  PAW double counting   =    101001.35630343  -100900.39713259
  entropy T*S    EENTRO =        -0.00660453
  eigenvalues    EBANDS =       -35.18482164
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435587 eV

  energy without entropy =      -13.89775133  energy(sigma->0) =      -13.90215436
  exchange ACFDT corr.  =        -0.00589378  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7288
    SETDIJ:  cpu time      1.2344: real time      1.2398
    TRIAL :  cpu time    592.1337: real time    597.1828
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    594.3643: real time    599.4278

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1917040E-04  ( 0.5230061E-06)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009641 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.97901153
  -exchange      EXHF   =        33.25320144
  -V(xc)+E(xc)   XCENC  =       -83.55312947
  PAW double counting   =    101001.63181661  -100900.67264738
  entropy T*S    EENTRO =        -0.00660605
  eigenvalues    EBANDS =       -35.18929954
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437504 eV

  energy without entropy =      -13.89776899  energy(sigma->0) =      -13.90217302
  exchange ACFDT corr.  =        -0.00589514  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7286
    SETDIJ:  cpu time      1.2346: real time      1.2401
    TRIAL :  cpu time    593.7486: real time    598.7836
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    595.9789: real time    601.0280

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3663255E-05  (-0.1492011E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009636 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.97893265
  -exchange      EXHF   =        33.25320683
  -V(xc)+E(xc)   XCENC  =       -83.55312820
  PAW double counting   =    101001.91045419  -100900.95129956
  entropy T*S    EENTRO =        -0.00660757
  eigenvalues    EBANDS =       -35.18936530
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437138 eV

  energy without entropy =      -13.89776380  energy(sigma->0) =      -13.90216885
  exchange ACFDT corr.  =        -0.00589657  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     63(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    592.6318: real time    597.6816
    CORREC:  cpu time      0.0036: real time      0.0036
    EDDIAG:  cpu time    590.7995: real time    595.7805
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time   1185.6577: real time   1195.7023

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2200788E-05  (-0.4636567E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009632 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.02991512
  -Hartree energ DENC   =      -699.98143920
  -exchange      EXHF   =        33.25323388
  -V(xc)+E(xc)   XCENC  =       -83.55312353
  PAW double counting   =    101002.09657233  -100901.13741825
  entropy T*S    EENTRO =        -0.00660894
  eigenvalues    EBANDS =       -35.18687926
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90437358 eV

  energy without entropy =      -13.89776464  energy(sigma->0) =      -13.90217060
  exchange ACFDT corr.  =        -0.00589800  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0829


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8867       2 -69.7674       3 -69.7686       4 -69.7835       5 -69.9093
 
 
 
 E-fermi :   3.1543     XC(G=0):  -5.1222     alpha+bet : -8.9779

 Fermi energy:         3.1542823728

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9598      1.00000
      3      -8.6060      1.00000
      4      -6.7744      1.00000
      5      -4.3329      1.00000
      6      -1.5909      1.00000
      7       1.6279      1.00000
      8       4.6132     -0.00000
      9       5.4032     -0.00000
     10       7.9247     -0.00000
     11       7.9801     -0.00000
     12      11.8854      0.00000
     13      12.1818      0.00000
     14      16.0577      0.00000
     15      16.0621      0.00000
     16      16.0685      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7573      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7579      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7641      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5904      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6435     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5905      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6435     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5910      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7131      0.00000
     15      10.5106      0.00000
     16      10.8125      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7131      0.00000
     15      10.5106      0.00000
     16      10.8124      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7131      0.00000
     15      10.5106      0.00000
     16      10.8124      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6212      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6211      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0336      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0336      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0344      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0425      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0448      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8244      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8269      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8234      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8451      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6323     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8374      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6323     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8509      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6776      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6778      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6778      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40013
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2297     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8700      1.00000
      2      -0.8690      1.00000
      3      -0.8406      1.00000
      4      -0.0046      1.00000
      5       0.0914      1.00000
      6       0.0937      1.00000
      7       1.1068      1.00000
      8       1.1115      1.00000
      9       1.8006      1.00000
     10       2.6668      1.00153
     11       4.0766     -0.00000
     12       4.0861     -0.00000
     13       5.9841     -0.00000
     14       5.9868     -0.00000
     15       6.0685     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1542823728

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8917      1.00000
      2      -9.9598      1.00000
      3      -8.6060      1.00000
      4      -6.7744      1.00000
      5      -4.3329      1.00000
      6      -1.5909      1.00000
      7       1.6279      1.00000
      8       4.6132     -0.00000
      9       5.4032     -0.00000
     10       7.9247     -0.00000
     11       7.9801     -0.00000
     12      11.8854      0.00000
     13      12.1818      0.00000
     14      16.0578      0.00000
     15      16.0602      0.00000
     16      16.0685      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6832      1.00000
      2      -9.7507      1.00000
      3      -8.3958      1.00000
      4      -6.5626      1.00000
      5      -4.1169      1.00000
      6      -1.3808      1.00000
      7       1.8414      1.00000
      8       4.7963     -0.00000
      9       5.5776     -0.00000
     10       8.0927     -0.00000
     11       8.1452     -0.00000
     12      12.0152      0.00000
     13      12.2768      0.00000
     14      13.1215      0.00000
     15      13.8778      0.00000
     16      14.3220      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7600      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7574      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0578      1.00000
      2      -9.1232      1.00000
      3      -7.7651      1.00000
      4      -5.9271      1.00000
      5      -3.4703      1.00000
      6      -0.7518      1.00000
      7       2.4673      1.00001
      8       5.3288     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7273      0.00000
     13      10.2972      0.00000
     14      11.3901      0.00000
     15      12.4979      0.00000
     16      12.7578      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5904      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6435     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5909      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0148      1.00000
      2      -8.0762      1.00000
      3      -6.7127      1.00000
      4      -4.8681      1.00000
      5      -2.3986      1.00000
      6       0.2858      1.00000
      7       3.4234     -0.03360
      8       5.6434     -0.00000
      9       6.5341     -0.00000
     10       6.8891     -0.00000
     11       7.0422     -0.00000
     12       8.0773     -0.00000
     13       9.3946      0.00000
     14       9.5717      0.00000
     15       9.7996      0.00000
     16      11.5906      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7131      0.00000
     15      10.5106      0.00000
     16      10.8124      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7131      0.00000
     15      10.5106      0.00000
     16      10.8128      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5523      1.00000
      2      -6.6075      1.00000
      3      -5.2372      1.00000
      4      -3.3890      1.00000
      5      -0.9326      1.00000
      6       1.5767      1.00000
      7       2.5445      1.00007
      8       3.5523     -0.00827
      9       4.8162     -0.00000
     10       5.1398     -0.00000
     11       6.5084     -0.00000
     12       7.6363     -0.00000
     13       8.2053     -0.00000
     14       8.7130      0.00000
     15      10.5106      0.00000
     16      10.8126      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6664      1.00000
      2      -4.7146      1.00000
      3      -3.3432      1.00000
      4      -1.5346      1.00000
      5      -0.6715      1.00000
      6       0.1429      1.00000
      7       1.1220      1.00000
      8       2.0283      1.00000
      9       3.6372     -0.00168
     10       3.7388     -0.00014
     11       5.9339     -0.00000
     12       6.7146     -0.00000
     13       8.2339     -0.00000
     14       9.1829      0.00000
     15       9.7443      0.00000
     16      10.3999      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3661      1.00000
      2      -3.3491      1.00000
      3      -2.4120      1.00000
      4      -2.4100      1.00000
      5      -1.2784      1.00000
      6      -0.8899      1.00000
      7       0.6247      1.00000
      8       1.3671      1.00000
      9       3.3858     -0.03469
     10       3.5281     -0.01196
     11       5.6717     -0.00000
     12       6.0173     -0.00000
     13       8.4143     -0.00000
     14       8.8642      0.00000
     15      10.2324      0.00000
     16      10.5325      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2663      1.00000
      2      -9.3324      1.00000
      3      -7.9754      1.00000
      4      -6.1390      1.00000
      5      -3.6856      1.00000
      6      -0.9612      1.00000
      7       2.2615      1.00000
      8       5.1558     -0.00000
      9       5.9243     -0.00000
     10       8.4175     -0.00000
     11       8.4539     -0.00000
     12      11.4245      0.00000
     13      11.4407      0.00000
     14      11.9021      0.00000
     15      12.0433      0.00000
     16      12.6255      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83629
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83629
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4322      1.00000
      2      -8.4952      1.00000
      3      -7.1339      1.00000
      4      -5.2916      1.00000
      5      -2.8260      1.00000
      6      -0.1262      1.00000
      7       3.0663      0.83628
      8       5.8101     -0.00000
      9       6.5929     -0.00000
     10       7.8548     -0.00000
     11       8.6132     -0.00000
     12       8.9975      0.00000
     13       9.4153      0.00000
     14       9.8495      0.00000
     15      10.1806      0.00000
     16      10.7410      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0343      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1797      1.00000
      2      -7.2376      1.00000
      3      -5.8699      1.00000
      4      -4.0217      1.00000
      5      -1.5513      1.00000
      6       1.0919      1.00000
      7       3.8125     -0.00002
      8       4.6893     -0.00000
      9       5.4306     -0.00000
     10       6.5194     -0.00000
     11       7.0739     -0.00000
     12       7.6888     -0.00000
     13       8.1695     -0.00000
     14       8.8939      0.00000
     15       9.6201      0.00000
     16      10.0335      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5057      1.00000
      2      -5.5567      1.00000
      3      -4.1835      1.00000
      4      -2.3423      1.00000
      5       0.0185      1.00000
      6       1.0004      1.00000
      7       1.9992      1.00000
      8       2.9926      0.99224
      9       3.5340     -0.01095
     10       5.1812     -0.00000
     11       5.9082     -0.00000
     12       7.3283     -0.00000
     13       7.9815     -0.00000
     14       8.6409      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4072      1.00000
      2      -3.4545      1.00000
      3      -2.0999      1.00000
      4      -1.8957      1.00000
      5      -1.0152      1.00000
      6      -0.3640      1.00000
      7       0.6487      1.00000
      8       2.2818      1.00000
      9       2.6593      1.00129
     10       4.7402     -0.00000
     11       4.8984     -0.00000
     12       7.0251     -0.00000
     13       7.4917     -0.00000
     14       8.0211     -0.00000
     15       8.8657      0.00000
     16       9.6997      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0350      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0371      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3887      1.00000
      2      -7.4475      1.00000
      3      -6.0808      1.00000
      4      -4.2331      1.00000
      5      -1.7610      1.00000
      6       0.9000      1.00000
      7       3.9626     -0.00000
      8       6.0165     -0.00000
      9       6.4960     -0.00000
     10       7.2397     -0.00000
     11       7.3122     -0.00000
     12       7.5192     -0.00000
     13       7.5958     -0.00000
     14       8.3909     -0.00000
     15       8.7511      0.00000
     16      10.0368      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58797
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58796
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9253      1.00000
      2      -5.9779      1.00000
      3      -4.6051      1.00000
      4      -2.7574      1.00000
      5      -0.3126      1.00000
      6       2.1618      1.00000
      7       3.1335      0.58797
      8       4.1266     -0.00000
      9       5.0898     -0.00000
     10       5.3700     -0.00000
     11       5.9184     -0.00000
     12       6.4975     -0.00000
     13       7.0114     -0.00000
     14       7.7627     -0.00000
     15       8.4007     -0.00000
     16       8.7495      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8309      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8223      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8271      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8331      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8284      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0385      1.00000
      2      -4.0854      1.00000
      3      -2.7149      1.00000
      4      -0.9165      1.00000
      5      -0.0550      1.00000
      6       0.7449      1.00000
      7       1.7126      1.00000
      8       2.6000      1.00032
      9       4.0700     -0.00000
     10       4.2584     -0.00000
     11       4.8659     -0.00000
     12       5.7486     -0.00000
     13       6.6322     -0.00000
     14       7.4067     -0.00000
     15       7.5302     -0.00000
     16       8.8495      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7404      1.00000
      2      -2.7230      1.00000
      3      -1.7981      1.00000
      4      -1.7779      1.00000
      5      -0.6642      1.00000
      6      -0.2771      1.00000
      7       1.2251      1.00000
      8       1.9600      1.00000
      9       3.7802     -0.00004
     10       3.8987     -0.00000
     11       4.7243     -0.00000
     12       5.7711     -0.00000
     13       6.3912     -0.00000
     14       6.7593     -0.00000
     15       7.1356     -0.00000
     16       8.6649      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6777      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6776      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2490      1.00000
      2      -4.2963      1.00000
      3      -2.9230      1.00000
      4      -1.0995      1.00000
      5       1.1531      1.00000
      6       2.0997      1.00000
      7       2.2637      1.00000
      8       3.0048      0.97545
      9       3.4709     -0.02386
     10       4.2393     -0.00000
     11       4.4916     -0.00000
     12       4.8636     -0.00000
     13       6.1972     -0.00000
     14       6.8394     -0.00000
     15       7.2547     -0.00000
     16       8.6777      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40011
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40011
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1512      1.00000
      2      -2.2018      1.00000
      3      -0.8630      1.00000
      4      -0.6496      1.00000
      5       0.2077      1.00000
      6       0.8187      1.00000
      7       1.7556      1.00000
      8       1.8352      1.00000
      9       2.5808      1.00019
     10       3.1781      0.40012
     11       4.1317     -0.00000
     12       4.6642     -0.00000
     13       6.0475     -0.00000
     14       6.1443     -0.00000
     15       6.3611     -0.00000
     16       8.2292     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8700      1.00000
      2      -0.8690      1.00000
      3      -0.8406      1.00000
      4      -0.0046      1.00000
      5       0.0914      1.00000
      6       0.0937      1.00000
      7       1.1068      1.00000
      8       1.1115      1.00000
      9       1.8006      1.00000
     10       2.6668      1.00153
     11       4.0766     -0.00000
     12       4.0861     -0.00000
     13       5.9841     -0.00000
     14       5.9868     -0.00000
     15       6.0685     -0.00000
     16       8.0135     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.767  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.767  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.962 -61.935   0.000  -0.153   0.000  -0.000  -0.011  -0.000
-61.935  33.080  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.065   0.000  -0.000  -0.320  -0.000   0.000
 -0.153   0.073   0.000   1.697   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.4527: real time    429.5190
    FORNL :  cpu time      0.4977: real time      0.5037
    FORCOR:  cpu time      1.9532: real time      1.9647
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.251E-05 0.215E-05 0.182E+03   0.422E-13 0.252E-13 -.181E+03   -.282E-05 -.224E-05 -.106E+01
   0.686E-06 0.245E-05 0.923E+02   0.193E-14 0.280E-14 -.923E+02   -.730E-06 -.241E-05 -.860E-01
   0.111E-05 -.245E-06 -.214E-01   -.145E-12 -.809E-13 0.212E-01   -.111E-05 0.268E-06 0.383E-03
   -.115E-06 0.160E-05 -.924E+02   0.136E-12 0.793E-13 0.923E+02   0.235E-06 -.176E-05 0.993E-01
   -.609E-06 -.160E-05 -.181E+03   -.451E-13 -.233E-13 0.181E+03   0.801E-06 0.170E-05 0.105E+01
 -----------------------------------------------------------------------------------------------
   0.315E-05 0.420E-05 -.346E-02   -.971E-14 0.313E-14 0.284E-13   -.363E-05 -.444E-05 0.568E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.024481
      0.00000      0.00000      2.37167         0.000000      0.000000     -0.007958
      1.42873      0.82488      4.68698        -0.000000     -0.000000     -0.000380
      2.85746      1.64976      7.00211         0.000000     -0.000000      0.012399
      0.00000      0.00000      9.37587        -0.000000     -0.000000      0.020419
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000      0.002676


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90437358 eV

  energy  without entropy=      -13.89776464  energy(sigma->0) =      -13.90217060
 
 d Force =-0.4068260E-04[-0.419E-04,-0.395E-04]  d Energy =-0.4214767E-04 0.147E-05
 d Force =-0.3512996E+00[-0.351E+00,-0.351E+00]  d Ewald  =-0.3512996E+00 0.376E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9584: real time      1.9701


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.306E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.5585
 eigenvalue spectrum of G is  0.9125  4.2045


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0063: real time      0.0679
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9562: real time      1.9688
    EDDIAG:  cpu time    590.1076: real time    595.0771
    CHARGE:  cpu time      0.2688: real time      0.2709
 writing wavefunctions
     LOOP+:  cpu time   8158.8965: real time   8228.1250


--------------------------------------- Iteration     64(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7302
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    590.5939: real time    595.6730
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.8316: real time    597.9252

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1211718E-04  (-0.1213134E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009678 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.80550626
  -Hartree energ DENC   =      -699.77858611
  -exchange      EXHF   =        33.25241103
  -V(xc)+E(xc)   XCENC  =       -83.55339319
  PAW double counting   =    100997.12581119  -100896.16658570
  entropy T*S    EENTRO =        -0.00658714
  eigenvalues    EBANDS =       -35.16434330
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438349 eV

  energy without entropy =      -13.89779635  energy(sigma->0) =      -13.90218778
  exchange ACFDT corr.  =        -0.00587980  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     64(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    591.3517: real time    596.3533
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    593.5787: real time    598.5942

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6229893E-05  (-0.1095284E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009689 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.80550626
  -Hartree energ DENC   =      -699.76833695
  -exchange      EXHF   =        33.25226185
  -V(xc)+E(xc)   XCENC  =       -83.55344229
  PAW double counting   =    100996.11391074  -100895.15468099
  entropy T*S    EENTRO =        -0.00658596
  eigenvalues    EBANDS =       -35.17440546
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90438972 eV

  energy without entropy =      -13.89780376  energy(sigma->0) =      -13.90219440
  exchange ACFDT corr.  =        -0.00587833  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     64(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2302: real time      1.2356
    TRIAL :  cpu time    591.1719: real time    596.2449
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.7569: real time    594.7391
    CHARGE:  cpu time      0.2685: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time   1183.1549: real time   1193.2242

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7037248E-05  (-0.3908610E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009703 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.80550626
  -Hartree energ DENC   =      -699.75820781
  -exchange      EXHF   =        33.25201174
  -V(xc)+E(xc)   XCENC  =       -83.55349528
  PAW double counting   =    100994.77107756  -100893.81184262
  entropy T*S    EENTRO =        -0.00658455
  eigenvalues    EBANDS =       -35.18433430
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439676 eV

  energy without entropy =      -13.89781220  energy(sigma->0) =      -13.90220191
  exchange ACFDT corr.  =        -0.00587645  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.2529


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8997       2 -69.7768       3 -69.7694       4 -69.7754       5 -69.8954
 
 
 
 E-fermi :   3.1548     XC(G=0):  -5.1224     alpha+bet : -8.9779

 Fermi energy:         3.1548454569

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9596      1.00000
      3      -8.6058      1.00000
      4      -6.7743      1.00000
      5      -4.3337      1.00000
      6      -1.5912      1.00000
      7       1.6266      1.00000
      8       4.6124     -0.00000
      9       5.4032     -0.00000
     10       7.9245     -0.00000
     11       7.9797     -0.00000
     12      11.8855      0.00000
     13      12.1812      0.00000
     14      16.0584      0.00000
     15      16.0625      0.00000
     16      16.0690      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7573      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7579      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7640      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5898      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5900      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5904      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5451      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8121      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5452      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8120      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5451      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8120      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6211      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0330      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0343      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0425      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0448      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8240      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8271      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8233      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8444      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8367      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8498      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1526      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6771      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1526      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6772      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1525      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6772      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2287     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2287     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2287     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2291     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8683      1.00000
      3      -0.8397      1.00000
      4      -0.0041      1.00000
      5       0.0921      1.00000
      6       0.0935      1.00000
      7       1.1088      1.00000
      8       1.1101      1.00000
      9       1.8009      1.00000
     10       2.6671      1.00152
     11       4.0811     -0.00000
     12       4.0818     -0.00000
     13       5.9842     -0.00000
     14       5.9854     -0.00000
     15       6.0676     -0.00000
     16       8.0134     -0.00000
 Fermi energy:         3.1548454569

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8910      1.00000
      2      -9.9596      1.00000
      3      -8.6058      1.00000
      4      -6.7743      1.00000
      5      -4.3337      1.00000
      6      -1.5912      1.00000
      7       1.6266      1.00000
      8       4.6124     -0.00000
      9       5.4032     -0.00000
     10       7.9245     -0.00000
     11       7.9797     -0.00000
     12      11.8855      0.00000
     13      12.1812      0.00000
     14      16.0584      0.00000
     15      16.0610      0.00000
     16      16.0690      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7504      1.00000
      3      -8.3956      1.00000
      4      -6.5625      1.00000
      5      -4.1177      1.00000
      6      -1.3811      1.00000
      7       1.8401      1.00000
      8       4.7955     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1448     -0.00000
     12      12.0154      0.00000
     13      12.2763      0.00000
     14      13.1220      0.00000
     15      13.8780      0.00000
     16      14.3226      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7599      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7574      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0571      1.00000
      2      -9.1229      1.00000
      3      -7.7649      1.00000
      4      -5.9270      1.00000
      5      -3.4711      1.00000
      6      -0.7521      1.00000
      7       2.4660      1.00001
      8       5.3280     -0.00000
      9       6.0955     -0.00000
     10       8.4752     -0.00000
     11       8.6209      0.00000
     12       9.7277      0.00000
     13      10.2975      0.00000
     14      11.3903      0.00000
     15      12.4978      0.00000
     16      12.7577      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5899      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5903      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0141      1.00000
      2      -8.0760      1.00000
      3      -6.7125      1.00000
      4      -4.8679      1.00000
      5      -2.3994      1.00000
      6       0.2855      1.00000
      7       3.4223     -0.03371
      8       5.6436     -0.00000
      9       6.5340     -0.00000
     10       6.8892     -0.00000
     11       7.0422     -0.00000
     12       8.0776     -0.00000
     13       9.3945      0.00000
     14       9.5715      0.00000
     15       9.7995      0.00000
     16      11.5900      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5451      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8121      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5451      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8124      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5516      1.00000
      2      -6.6073      1.00000
      3      -5.2369      1.00000
      4      -3.3889      1.00000
      5      -0.9334      1.00000
      6       1.5766      1.00000
      7       2.5451      1.00007
      8       3.5525     -0.00823
      9       4.8164     -0.00000
     10       5.1388     -0.00000
     11       6.5085     -0.00000
     12       7.6356     -0.00000
     13       8.2053     -0.00000
     14       8.7124      0.00000
     15      10.5105      0.00000
     16      10.8122      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6656      1.00000
      2      -4.7143      1.00000
      3      -3.3429      1.00000
      4      -1.5344      1.00000
      5      -0.6707      1.00000
      6       0.1430      1.00000
      7       1.1217      1.00000
      8       2.0284      1.00000
      9       3.6374     -0.00169
     10       3.7386     -0.00014
     11       5.9332     -0.00000
     12       6.7135     -0.00000
     13       8.2336     -0.00000
     14       9.1823      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3653      1.00000
      2      -3.3482      1.00000
      3      -2.4117      1.00000
      4      -2.4097      1.00000
      5      -1.2781      1.00000
      6      -0.8896      1.00000
      7       0.6249      1.00000
      8       1.3672      1.00000
      9       3.3852     -0.03461
     10       3.5272     -0.01205
     11       5.6716     -0.00000
     12       6.0170     -0.00000
     13       8.4132     -0.00000
     14       8.8635      0.00000
     15      10.2330      0.00000
     16      10.5323      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6211      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6210      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2656      1.00000
      2      -9.3321      1.00000
      3      -7.9752      1.00000
      4      -6.1389      1.00000
      5      -3.6864      1.00000
      6      -0.9615      1.00000
      7       2.2602      1.00000
      8       5.1550     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4536     -0.00000
     12      11.4251      0.00000
     13      11.4414      0.00000
     14      11.9023      0.00000
     15      12.0434      0.00000
     16      12.6249      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4315      1.00000
      2      -8.4950      1.00000
      3      -7.1336      1.00000
      4      -5.2915      1.00000
      5      -2.8268      1.00000
      6      -0.1265      1.00000
      7       3.0651      0.83879
      8       5.8094     -0.00000
      9       6.5928     -0.00000
     10       7.8554     -0.00000
     11       8.6134     -0.00000
     12       8.9975      0.00000
     13       9.4152      0.00000
     14       9.8497      0.00000
     15      10.1810      0.00000
     16      10.7413      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0337      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1790      1.00000
      2      -7.2373      1.00000
      3      -5.8696      1.00000
      4      -4.0216      1.00000
      5      -1.5521      1.00000
      6       1.0916      1.00000
      7       3.8124     -0.00002
      8       4.6893     -0.00000
      9       5.4307     -0.00000
     10       6.5197     -0.00000
     11       7.0734     -0.00000
     12       7.6888     -0.00000
     13       8.1697     -0.00000
     14       8.8945      0.00000
     15       9.6202      0.00000
     16      10.0329      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5050      1.00000
      2      -5.5564      1.00000
      3      -4.1832      1.00000
      4      -2.3421      1.00000
      5       0.0179      1.00000
      6       1.0011      1.00000
      7       1.9995      1.00000
      8       2.9925      0.99247
      9       3.5343     -0.01093
     10       5.1814     -0.00000
     11       5.9073     -0.00000
     12       7.3278     -0.00000
     13       7.9816     -0.00000
     14       8.6407      0.00000
     15       9.0967      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4064      1.00000
      2      -3.4542      1.00000
      3      -2.0996      1.00000
      4      -1.8949      1.00000
      5      -1.0149      1.00000
      6      -0.3637      1.00000
      7       0.6489      1.00000
      8       2.2817      1.00000
      9       2.6590      1.00128
     10       4.7396     -0.00000
     11       4.8981     -0.00000
     12       7.0250     -0.00000
     13       7.4914     -0.00000
     14       8.0210     -0.00000
     15       8.8656      0.00000
     16       9.6994      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0349      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0372      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3880      1.00000
      2      -7.4472      1.00000
      3      -6.0805      1.00000
      4      -4.2329      1.00000
      5      -1.7617      1.00000
      6       0.8997      1.00000
      7       3.9616     -0.00000
      8       6.0167     -0.00000
      9       6.4965     -0.00000
     10       7.2400     -0.00000
     11       7.3122     -0.00000
     12       7.5194     -0.00000
     13       7.5958     -0.00000
     14       8.3911     -0.00000
     15       8.7513      0.00000
     16      10.0364      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9245      1.00000
      2      -5.9776      1.00000
      3      -4.6049      1.00000
      4      -2.7572      1.00000
      5      -0.3133      1.00000
      6       2.1617      1.00000
      7       3.1341      0.58508
      8       4.1269     -0.00000
      9       5.0900     -0.00000
     10       5.3703     -0.00000
     11       5.9183     -0.00000
     12       6.4975     -0.00000
     13       7.0115     -0.00000
     14       7.7628     -0.00000
     15       8.4002     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8305      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8220      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8273      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8333      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8287      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0377      1.00000
      2      -4.0851      1.00000
      3      -2.7146      1.00000
      4      -0.9163      1.00000
      5      -0.0542      1.00000
      6       0.7450      1.00000
      7       1.7123      1.00000
      8       2.6001      1.00032
      9       4.0701     -0.00000
     10       4.2584     -0.00000
     11       4.8665     -0.00000
     12       5.7487     -0.00000
     13       6.6320     -0.00000
     14       7.4066     -0.00000
     15       7.5291     -0.00000
     16       8.8486      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7396      1.00000
      2      -2.7222      1.00000
      3      -1.7978      1.00000
      4      -1.7776      1.00000
      5      -0.6639      1.00000
      6      -0.2768      1.00000
      7       1.2253      1.00000
      8       1.9601      1.00000
      9       3.7797     -0.00005
     10       3.8983     -0.00000
     11       4.7246     -0.00000
     12       5.7713     -0.00000
     13       6.3911     -0.00000
     14       6.7590     -0.00000
     15       7.1358     -0.00000
     16       8.6650      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1526      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6771      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1526      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6771      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2483      1.00000
      2      -4.2960      1.00000
      3      -2.9227      1.00000
      4      -1.0993      1.00000
      5       1.1525      1.00000
      6       2.1004      1.00000
      7       2.2643      1.00000
      8       3.0052      0.97489
      9       3.4712     -0.02382
     10       4.2395     -0.00000
     11       4.4917     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8395     -0.00000
     15       7.2537     -0.00000
     16       8.6771      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2287     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1504      1.00000
      2      -2.2015      1.00000
      3      -0.8626      1.00000
      4      -0.6488      1.00000
      5       0.2080      1.00000
      6       0.8189      1.00000
      7       1.7563      1.00000
      8       1.8355      1.00000
      9       2.5810      1.00019
     10       3.1783      0.40056
     11       4.1314     -0.00000
     12       4.6643     -0.00000
     13       6.0473     -0.00000
     14       6.1442     -0.00000
     15       6.3607     -0.00000
     16       8.2288     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8683      1.00000
      3      -0.8397      1.00000
      4      -0.0041      1.00000
      5       0.0921      1.00000
      6       0.0935      1.00000
      7       1.1088      1.00000
      8       1.1101      1.00000
      9       1.8009      1.00000
     10       2.6671      1.00152
     11       4.0811     -0.00000
     12       4.0818     -0.00000
     13       5.9842     -0.00000
     14       5.9854     -0.00000
     15       6.0676     -0.00000
     16       8.0134     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.960 -61.934   0.000  -0.153   0.000  -0.000  -0.011  -0.000
-61.934  33.079  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.064  -0.000  -0.000  -0.320   0.000   0.000
 -0.153   0.073  -0.000   1.697   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.064   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.6571: real time    429.7230
    FORNL :  cpu time      0.4978: real time      0.5040
    FORCOR:  cpu time      1.9535: real time      1.9655
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.115E-05 -.135E-05 0.182E+03   0.367E-13 0.273E-13 -.181E+03   -.122E-05 0.125E-05 -.106E+01
   -.326E-06 0.115E-05 0.923E+02   0.126E-13 0.201E-14 -.922E+02   0.187E-06 -.119E-05 -.859E-01
   0.149E-05 -.141E-05 -.291E-01   -.151E-12 -.842E-13 0.307E-01   -.148E-05 0.139E-05 -.101E-02
   0.376E-06 0.229E-05 -.924E+02   0.134E-12 0.800E-13 0.923E+02   -.419E-06 -.242E-05 0.867E-01
   -.168E-05 0.317E-05 -.181E+03   -.416E-13 -.219E-13 0.180E+03   0.160E-05 -.316E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.107E-05 0.405E-05 0.193E-01   -.971E-14 0.313E-14 0.284E-13   -.132E-05 -.412E-05 -.234E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.023600
      0.00000      0.00000      2.37168         0.000000      0.000000     -0.002674
      1.42873      0.82488      4.68716        -0.000001     -0.000001      0.001696
      2.85746      1.64976      7.00280         0.000000      0.000000      0.008248
      0.00000      0.00000      9.37677         0.000000      0.000000      0.016330
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.005499


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90439676 eV

  energy  without entropy=      -13.89781220  energy(sigma->0) =      -13.90220191
 
 d Force = 0.2361624E-04[ 0.206E-04, 0.267E-04]  d Energy = 0.2318353E-04 0.433E-06
 d Force = 0.2244089E+00[ 0.224E+00, 0.224E+00]  d Ewald  = 0.2244089E+00-0.799E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9527: real time      1.9644


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.166E-04   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.7755
 eigenvalue spectrum of G is  1.7755  1.7755


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0591
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9507: real time      1.9632
    EDDIAG:  cpu time    592.2551: real time    597.2844
    CHARGE:  cpu time      0.2692: real time      0.2714
 writing wavefunctions
     LOOP+:  cpu time   3396.1346: real time   3424.6330


--------------------------------------- Iteration     65(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7249: real time      0.7309
    SETDIJ:  cpu time      1.2306: real time      1.2363
    TRIAL :  cpu time    591.5330: real time    596.6197
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.7720: real time    598.8736

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1752741E-03  (-0.6603468E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009797 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.51325962
  -exchange      EXHF   =        33.25084030
  -V(xc)+E(xc)   XCENC  =       -83.55388828
  PAW double counting   =    100985.51576151  -100884.55638447
  entropy T*S    EENTRO =        -0.00655205
  eigenvalues    EBANDS =       -35.07526720
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90421445 eV

  energy without entropy =      -13.89766240  energy(sigma->0) =      -13.90203043
  exchange ACFDT corr.  =        -0.00584439  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7296
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    590.9711: real time    596.0888
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2696: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    593.1985: real time    598.3302

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2846410E-04  (-0.5435627E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009811 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.42171676
  -exchange      EXHF   =        33.25033196
  -V(xc)+E(xc)   XCENC  =       -83.55406847
  PAW double counting   =    100983.72667628  -100882.76729147
  entropy T*S    EENTRO =        -0.00655006
  eigenvalues    EBANDS =       -35.16610700
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90418598 eV

  energy without entropy =      -13.89763592  energy(sigma->0) =      -13.90200263
  exchange ACFDT corr.  =        -0.00583753  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2308: real time      1.2362
    TRIAL :  cpu time    591.5284: real time    596.5893
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2691: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.7545: real time    598.8294

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2135482E-03  (-0.1037050E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009831 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.38086365
  -exchange      EXHF   =        33.24993521
  -V(xc)+E(xc)   XCENC  =       -83.55420693
  PAW double counting   =    100982.48269501  -100881.52331381
  entropy T*S    EENTRO =        -0.00655065
  eigenvalues    EBANDS =       -35.20663683
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90439953 eV

  energy without entropy =      -13.89784888  energy(sigma->0) =      -13.90221598
  exchange ACFDT corr.  =        -0.00583342  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7284
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    591.4912: real time    596.5181
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    593.7187: real time    598.7590

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3838402E-05  (-0.1073313E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009854 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.39903991
  -exchange      EXHF   =        33.24981485
  -V(xc)+E(xc)   XCENC  =       -83.55424826
  PAW double counting   =    100982.01222439  -100881.05287695
  entropy T*S    EENTRO =        -0.00654912
  eigenvalues    EBANDS =       -35.18826836
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440337 eV

  energy without entropy =      -13.89785425  energy(sigma->0) =      -13.90222033
  exchange ACFDT corr.  =        -0.00583216  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2285: real time      1.2338
    TRIAL :  cpu time    592.0172: real time    597.0652
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    594.2414: real time    599.3030

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3161433E-05  (-0.7157366E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009871 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.41459310
  -exchange      EXHF   =        33.24982201
  -V(xc)+E(xc)   XCENC  =       -83.55424646
  PAW double counting   =    100981.82893663  -100880.86958152
  entropy T*S    EENTRO =        -0.00654524
  eigenvalues    EBANDS =       -35.17273649
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90440653 eV

  energy without entropy =      -13.89786129  energy(sigma->0) =      -13.90222478
  exchange ACFDT corr.  =        -0.00583039  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7291
    SETDIJ:  cpu time      1.2288: real time      1.2341
    TRIAL :  cpu time    592.3578: real time    597.3827
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    594.5844: real time    599.6231

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3029665E-04  (-0.3208062E-06)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009878 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.40938947
  -exchange      EXHF   =        33.24984518
  -V(xc)+E(xc)   XCENC  =       -83.55423823
  PAW double counting   =    100982.19497326  -100881.23563443
  entropy T*S    EENTRO =        -0.00654157
  eigenvalues    EBANDS =       -35.17798942
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90443683 eV

  energy without entropy =      -13.89789525  energy(sigma->0) =      -13.90225630
  exchange ACFDT corr.  =        -0.00582740  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7283
    SETDIJ:  cpu time      1.2289: real time      1.2343
    TRIAL :  cpu time    591.6331: real time    596.6910
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.8580: real time    598.9299

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1236316E-05  (-0.1703206E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009879 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.40422021
  -exchange      EXHF   =        33.24987449
  -V(xc)+E(xc)   XCENC  =       -83.55422720
  PAW double counting   =    100983.13122593  -100882.17189313
  entropy T*S    EENTRO =        -0.00653952
  eigenvalues    EBANDS =       -35.18319542
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90443559 eV

  energy without entropy =      -13.89789607  energy(sigma->0) =      -13.90225575
  exchange ACFDT corr.  =        -0.00582466  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     65(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2302: real time      1.2354
    TRIAL :  cpu time    592.2122: real time    597.2984
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    594.5303: real time    599.5430
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time   1188.9683: real time   1199.0808

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1389984E-05  (-0.9236923E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009874 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       401.45315728
  -Hartree energ DENC   =      -699.40983523
  -exchange      EXHF   =        33.24992014
  -V(xc)+E(xc)   XCENC  =       -83.55421322
  PAW double counting   =    100984.41806792  -100883.45873689
  entropy T*S    EENTRO =        -0.00653809
  eigenvalues    EBANDS =       -35.17763081
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90443698 eV

  energy without entropy =      -13.89789890  energy(sigma->0) =      -13.90225762
  exchange ACFDT corr.  =        -0.00582295  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9889


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9101       2 -69.7862       3 -69.7705       4 -69.7659       5 -69.8850
 
 
 
 E-fermi :   3.1546     XC(G=0):  -5.1227     alpha+bet : -8.9779

 Fermi energy:         3.1546385111

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9582      1.00000
      3      -8.6052      1.00000
      4      -6.7747      1.00000
      5      -4.3349      1.00000
      6      -1.5917      1.00000
      7       1.6244      1.00000
      8       4.6108     -0.00000
      9       5.4027     -0.00000
     10       7.9243     -0.00000
     11       7.9786     -0.00000
     12      11.8850      0.00000
     13      12.1805      0.00000
     14      16.0591      0.00000
     15      16.0630      0.00000
     16      16.0699      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7570      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7575      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7632      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5891      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5892      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5897      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8114      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8113      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8113      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6208      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6207      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6211      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0337      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0420      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0446      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8231      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8269      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7497     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8228      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7497     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8434      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7497     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8353      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7497     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8481      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6762      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6763      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6763      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39981
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2281     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39981
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39981
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2285     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8663      1.00000
      3      -0.8387      1.00000
      4      -0.0026      1.00000
      5       0.0924      1.00000
      6       0.0965      1.00000
      7       1.1073      1.00000
      8       1.1136      1.00000
      9       1.8015      1.00000
     10       2.6672      1.00152
     11       4.0765     -0.00000
     12       4.0858     -0.00000
     13       5.9836     -0.00000
     14       5.9841     -0.00000
     15       6.0663     -0.00000
     16       8.0131     -0.00000
 Fermi energy:         3.1546385111

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8902      1.00000
      2      -9.9582      1.00000
      3      -8.6052      1.00000
      4      -6.7747      1.00000
      5      -4.3349      1.00000
      6      -1.5917      1.00000
      7       1.6244      1.00000
      8       4.6108     -0.00000
      9       5.4027     -0.00000
     10       7.9243     -0.00000
     11       7.9786     -0.00000
     12      11.8850      0.00000
     13      12.1805      0.00000
     14      16.0591      0.00000
     15      16.0620      0.00000
     16      16.0699      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6817      1.00000
      2      -9.7490      1.00000
      3      -8.3950      1.00000
      4      -6.5628      1.00000
      5      -4.1190      1.00000
      6      -1.3817      1.00000
      7       1.8379      1.00000
      8       4.7939     -0.00000
      9       5.5771     -0.00000
     10       8.0923     -0.00000
     11       8.1437     -0.00000
     12      12.0150      0.00000
     13      12.2757      0.00000
     14      13.1228      0.00000
     15      13.8792      0.00000
     16      14.3235      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7594      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7571      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0563      1.00000
      2      -9.1215      1.00000
      3      -7.7643      1.00000
      4      -5.9274      1.00000
      5      -3.4723      1.00000
      6      -0.7526      1.00000
      7       2.4639      1.00001
      8       5.3265     -0.00000
      9       6.0950     -0.00000
     10       8.4749     -0.00000
     11       8.6203      0.00000
     12       9.7282      0.00000
     13      10.2989      0.00000
     14      11.3909      0.00000
     15      12.4972      0.00000
     16      12.7574      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5891      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5896      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0133      1.00000
      2      -8.0745      1.00000
      3      -6.7119      1.00000
      4      -4.8682      1.00000
      5      -2.4005      1.00000
      6       0.2851      1.00000
      7       3.4204     -0.03395
      8       5.6438     -0.00000
      9       6.5335     -0.00000
     10       6.8902     -0.00000
     11       7.0418     -0.00000
     12       8.0782     -0.00000
     13       9.3942      0.00000
     14       9.5710      0.00000
     15       9.7989      0.00000
     16      11.5893      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8114      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8117      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5507      1.00000
      2      -6.6058      1.00000
      3      -5.2362      1.00000
      4      -3.3891      1.00000
      5      -0.9344      1.00000
      6       1.5765      1.00000
      7       2.5461      1.00007
      8       3.5538     -0.00809
      9       4.8169     -0.00000
     10       5.1372     -0.00000
     11       6.5084     -0.00000
     12       7.6343     -0.00000
     13       8.2048     -0.00000
     14       8.7114      0.00000
     15      10.5101      0.00000
     16      10.8114      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6647      1.00000
      2      -4.7127      1.00000
      3      -3.3422      1.00000
      4      -1.5345      1.00000
      5      -0.6697      1.00000
      6       0.1441      1.00000
      7       1.1217      1.00000
      8       2.0287      1.00000
      9       3.6372     -0.00169
     10       3.7382     -0.00015
     11       5.9323     -0.00000
     12       6.7120     -0.00000
     13       8.2331     -0.00000
     14       9.1812      0.00000
     15       9.7439      0.00000
     16      10.4015      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3643      1.00000
      2      -3.3472      1.00000
      3      -2.4101      1.00000
      4      -2.4082      1.00000
      5      -1.2772      1.00000
      6      -0.8889      1.00000
      7       0.6249      1.00000
      8       1.3670      1.00000
      9       3.3844     -0.03449
     10       3.5261     -0.01226
     11       5.6713     -0.00000
     12       6.0165     -0.00000
     13       8.4116     -0.00000
     14       8.8624      0.00000
     15      10.2340      0.00000
     16      10.5319      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6209      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6206      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2648      1.00000
      2      -9.3307      1.00000
      3      -7.9746      1.00000
      4      -6.1392      1.00000
      5      -3.6876      1.00000
      6      -0.9620      1.00000
      7       2.2581      1.00000
      8       5.1534     -0.00000
      9       5.9238     -0.00000
     10       8.4172     -0.00000
     11       8.4525     -0.00000
     12      11.4258      0.00000
     13      11.4423      0.00000
     14      11.9033      0.00000
     15      12.0444      0.00000
     16      12.6237      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4307      1.00000
      2      -8.4935      1.00000
      3      -7.1330      1.00000
      4      -5.2918      1.00000
      5      -2.8280      1.00000
      6      -0.1270      1.00000
      7       3.0630      0.84478
      8       5.8080     -0.00000
      9       6.5924     -0.00000
     10       7.8562     -0.00000
     11       8.6144      0.00000
     12       8.9972      0.00000
     13       9.4149      0.00000
     14       9.8503      0.00000
     15      10.1815      0.00000
     16      10.7427      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0326      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1781      1.00000
      2      -7.2359      1.00000
      3      -5.8690      1.00000
      4      -4.0219      1.00000
      5      -1.5532      1.00000
      6       1.0913      1.00000
      7       3.8121     -0.00002
      8       4.6893     -0.00000
      9       5.4316     -0.00000
     10       6.5201     -0.00000
     11       7.0724     -0.00000
     12       7.6884     -0.00000
     13       8.1697     -0.00000
     14       8.8953      0.00000
     15       9.6212      0.00000
     16      10.0319      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5041      1.00000
      2      -5.5549      1.00000
      3      -4.1825      1.00000
      4      -2.3423      1.00000
      5       0.0171      1.00000
      6       1.0021      1.00000
      7       2.0008      1.00000
      8       2.9926      0.99248
      9       3.5348     -0.01084
     10       5.1812     -0.00000
     11       5.9057     -0.00000
     12       7.3272     -0.00000
     13       7.9818     -0.00000
     14       8.6400      0.00000
     15       9.0962      0.00000
     16       9.1436      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4055      1.00000
      2      -3.4526      1.00000
      3      -2.0989      1.00000
      4      -1.8939      1.00000
      5      -1.0134      1.00000
      6      -0.3635      1.00000
      7       0.6494      1.00000
      8       2.2813      1.00000
      9       2.6582      1.00126
     10       4.7389     -0.00000
     11       4.8975     -0.00000
     12       7.0249     -0.00000
     13       7.4911     -0.00000
     14       8.0209     -0.00000
     15       8.8663      0.00000
     16       9.6989      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0341      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0368      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3871      1.00000
      2      -7.4458      1.00000
      3      -6.0799      1.00000
      4      -4.2332      1.00000
      5      -1.7629      1.00000
      6       0.8994      1.00000
      7       3.9600     -0.00000
      8       6.0169     -0.00000
      9       6.4975     -0.00000
     10       7.2407     -0.00000
     11       7.3122     -0.00000
     12       7.5206     -0.00000
     13       7.5954     -0.00000
     14       8.3919     -0.00000
     15       8.7518      0.00000
     16      10.0355      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9236      1.00000
      2      -5.9761      1.00000
      3      -4.6042      1.00000
      4      -2.7574      1.00000
      5      -0.3143      1.00000
      6       2.1617      1.00000
      7       3.1351      0.58058
      8       4.1282     -0.00000
      9       5.0902     -0.00000
     10       5.3710     -0.00000
     11       5.9184     -0.00000
     12       6.4980     -0.00000
     13       7.0116     -0.00000
     14       7.7627     -0.00000
     15       8.3991     -0.00000
     16       8.7490      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8296      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8214      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8271      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8330      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8283      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0368      1.00000
      2      -4.0836      1.00000
      3      -2.7138      1.00000
      4      -0.9164      1.00000
      5      -0.0532      1.00000
      6       0.7462      1.00000
      7       1.7123      1.00000
      8       2.6004      1.00032
      9       4.0703     -0.00000
     10       4.2581     -0.00000
     11       4.8672     -0.00000
     12       5.7496     -0.00000
     13       6.6318     -0.00000
     14       7.4067     -0.00000
     15       7.5276     -0.00000
     16       8.8471      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7386      1.00000
      2      -2.7212      1.00000
      3      -1.7963      1.00000
      4      -1.7760      1.00000
      5      -0.6630      1.00000
      6      -0.2761      1.00000
      7       1.2253      1.00000
      8       1.9599      1.00000
      9       3.7793     -0.00005
     10       3.8976     -0.00000
     11       4.7252     -0.00000
     12       5.7721     -0.00000
     13       6.3910     -0.00000
     14       6.7588     -0.00000
     15       7.1363     -0.00000
     16       8.6647      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6762      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6762      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2473      1.00000
      2      -4.2945      1.00000
      3      -2.9219      1.00000
      4      -1.0995      1.00000
      5       1.1519      1.00000
      6       2.1013      1.00000
      7       2.2657      1.00000
      8       3.0066      0.97313
      9       3.4725     -0.02357
     10       4.2401     -0.00000
     11       4.4917     -0.00000
     12       4.8643     -0.00000
     13       6.1974     -0.00000
     14       6.8391     -0.00000
     15       7.2519     -0.00000
     16       8.6762      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39981
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1494      1.00000
      2      -2.1999      1.00000
      3      -0.8619      1.00000
      4      -0.6477      1.00000
      5       0.2095      1.00000
      6       0.8193      1.00000
      7       1.7572      1.00000
      8       1.8362      1.00000
      9       2.5822      1.00020
     10       3.1785      0.39982
     11       4.1309     -0.00000
     12       4.6644     -0.00000
     13       6.0470     -0.00000
     14       6.1438     -0.00000
     15       6.3598     -0.00000
     16       8.2282     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8692      1.00000
      2      -0.8663      1.00000
      3      -0.8387      1.00000
      4      -0.0026      1.00000
      5       0.0924      1.00000
      6       0.0965      1.00000
      7       1.1073      1.00000
      8       1.1136      1.00000
      9       1.8015      1.00000
     10       2.6672      1.00152
     11       4.0765     -0.00000
     12       4.0858     -0.00000
     13       5.9836     -0.00000
     14       5.9841     -0.00000
     15       6.0663     -0.00000
     16       8.0132     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.769   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.769  23.498   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.769   0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.769  23.498  -0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000  -0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765   0.000
  0.000   0.000   0.000  -0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.958 -61.932  -0.000  -0.153   0.000   0.000  -0.011  -0.000
-61.932  33.078   0.000   0.073  -0.000  -0.000   0.007   0.000
 -0.000   0.000   2.064   0.000  -0.000  -0.320   0.000   0.000
 -0.153   0.073   0.000   1.698   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.064   0.000  -0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    427.5764: real time    430.6533
    FORNL :  cpu time      0.4967: real time      0.5027
    FORCOR:  cpu time      1.9561: real time      1.9679
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.521E-06 0.126E-05 0.181E+03   0.371E-13 0.315E-13 -.181E+03   -.701E-06 -.139E-05 -.106E+01
   0.388E-06 -.372E-07 0.923E+02   0.790E-14 -.235E-15 -.922E+02   -.691E-06 0.159E-06 -.882E-01
   0.987E-06 0.120E-05 -.443E-01   -.146E-12 -.894E-13 0.412E-01   -.423E-06 -.883E-06 0.226E-02
   -.137E-05 -.139E-05 -.923E+02   0.135E-12 0.883E-13 0.923E+02   0.117E-05 0.240E-05 0.984E-01
   -.662E-06 0.139E-05 -.181E+03   -.434E-13 -.271E-13 0.180E+03   0.673E-06 -.105E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   -.970E-06 0.200E-05 -.713E-02   -.971E-14 0.313E-14 0.568E-13   0.242E-07 -.766E-06 0.111E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.021637
      0.00000      0.00000      2.37200        -0.000001     -0.000000     -0.008348
      1.42873      0.82488      4.68765        -0.000001     -0.000001      0.000213
      2.85746      1.64976      7.00377         0.000001      0.000001      0.012194
      0.00000      0.00000      9.37839         0.000000      0.000000      0.017578
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000001     -0.006168


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90443698 eV

  energy  without entropy=      -13.89789890  energy(sigma->0) =      -13.90225762
 
 d Force = 0.3608722E-04[ 0.377E-04, 0.344E-04]  d Energy = 0.4022288E-04-0.414E-05
 d Force = 0.3523490E+00[ 0.352E+00, 0.352E+00]  d Ewald  = 0.3523490E+00-0.180E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9520: real time      1.9637


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.254E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.3254
 eigenvalue spectrum of G is  1.3254


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0758
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0843
    POTLOK:  cpu time      1.9534: real time      1.9659
    EDDIAG:  cpu time    591.5577: real time    596.5575
    CHARGE:  cpu time      0.2691: real time      0.2713
 writing wavefunctions
     LOOP+:  cpu time   6372.8873: real time   6426.9012


--------------------------------------- Iteration     66(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7298
    SETDIJ:  cpu time      1.2465: real time      1.2520
    TRIAL :  cpu time    590.6713: real time    595.7442
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    592.9248: real time    598.0122

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3701324E-03  (-0.4278836E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0009776 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -699.90046099
  -exchange      EXHF   =        33.25214834
  -V(xc)+E(xc)   XCENC  =       -83.55349440
  PAW double counting   =    100993.39460545  -100892.43552249
  entropy T*S    EENTRO =        -0.00658534
  eigenvalues    EBANDS =       -35.36774367
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406546 eV

  energy without entropy =      -13.89748012  energy(sigma->0) =      -13.90187035
  exchange ACFDT corr.  =        -0.00586493  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2459: real time      1.2513
    TRIAL :  cpu time    590.9660: real time    596.0317
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    593.2083: real time    598.2876

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5018146E-04  (-0.3336017E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0009752 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.06269511
  -exchange      EXHF   =        33.25300779
  -V(xc)+E(xc)   XCENC  =       -83.55319249
  PAW double counting   =    100996.12470972  -100895.16561320
  entropy T*S    EENTRO =        -0.00659084
  eigenvalues    EBANDS =       -35.20672388
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90411564 eV

  energy without entropy =      -13.89752480  energy(sigma->0) =      -13.90191870
  exchange ACFDT corr.  =        -0.00587699  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2466: real time      1.2520
    TRIAL :  cpu time    587.9969: real time    593.0199
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    590.2385: real time    595.2756

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1578556E-03  (-0.4130253E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0009724 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.13108257
  -exchange      EXHF   =        33.25364404
  -V(xc)+E(xc)   XCENC  =       -83.55297340
  PAW double counting   =    100998.31184871  -100897.35274694
  entropy T*S    EENTRO =        -0.00659007
  eigenvalues    EBANDS =       -35.13934937
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90427350 eV

  energy without entropy =      -13.89768343  energy(sigma->0) =      -13.90207681
  exchange ACFDT corr.  =        -0.00588528  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2444: real time      1.2500
    TRIAL :  cpu time    590.9653: real time    596.0591
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.2060: real time    598.3138

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2863935E-04  (-0.7844143E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009699 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.09621674
  -exchange      EXHF   =        33.25384014
  -V(xc)+E(xc)   XCENC  =       -83.55291128
  PAW double counting   =    100999.24611739  -100898.28701324
  entropy T*S    EENTRO =        -0.00659206
  eigenvalues    EBANDS =       -35.17450522
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90430214 eV

  energy without entropy =      -13.89771008  energy(sigma->0) =      -13.90210478
  exchange ACFDT corr.  =        -0.00588740  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2454: real time      1.2507
    TRIAL :  cpu time    588.8600: real time    593.9250
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    591.1013: real time    596.1798

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1826613E-04  (-0.4727718E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009678 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.07018193
  -exchange      EXHF   =        33.25388031
  -V(xc)+E(xc)   XCENC  =       -83.55290305
  PAW double counting   =    100999.87052865  -100898.91138896
  entropy T*S    EENTRO =        -0.00659889
  eigenvalues    EBANDS =       -35.20064025
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90432040 eV

  energy without entropy =      -13.89772151  energy(sigma->0) =      -13.90212077
  exchange ACFDT corr.  =        -0.00589005  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7298
    SETDIJ:  cpu time      1.2435: real time      1.2494
    TRIAL :  cpu time    591.3484: real time    596.4442
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.5892: real time    598.6993

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2567084E-04  (-0.7108697E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0009661 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.08587522
  -exchange      EXHF   =        33.25390763
  -V(xc)+E(xc)   XCENC  =       -83.55289442
  PAW double counting   =    101000.70129266  -100899.74215147
  entropy T*S    EENTRO =        -0.00660515
  eigenvalues    EBANDS =       -35.18500323
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90434607 eV

  energy without entropy =      -13.89774093  energy(sigma->0) =      -13.90214436
  exchange ACFDT corr.  =        -0.00589531  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7280
    SETDIJ:  cpu time      1.2440: real time      1.2494
    TRIAL :  cpu time    590.7620: real time    595.7403
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.0017: real time    597.9940

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4325397E-05  (-0.1333920E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009647 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.09915953
  -exchange      EXHF   =        33.25388192
  -V(xc)+E(xc)   XCENC  =       -83.55290246
  PAW double counting   =    101001.27889701  -100900.31975581
  entropy T*S    EENTRO =        -0.00660830
  eigenvalues    EBANDS =       -35.17168326
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435040 eV

  energy without entropy =      -13.89774210  energy(sigma->0) =      -13.90214763
  exchange ACFDT corr.  =        -0.00589979  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     66(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7281
    SETDIJ:  cpu time      1.2456: real time      1.2510
    TRIAL :  cpu time    587.9449: real time    592.9469
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    593.5242: real time    598.6199
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time   1183.7098: real time   1193.8215

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4277230E-05  (-0.6864386E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0009636 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       402.13159263
  -Hartree energ DENC   =      -700.08752030
  -exchange      EXHF   =        33.25375344
  -V(xc)+E(xc)   XCENC  =       -83.55292946
  PAW double counting   =    101001.40712539  -100900.44798571
  entropy T*S    EENTRO =        -0.00661021
  eigenvalues    EBANDS =       -35.18321808
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90435468 eV

  energy without entropy =      -13.89774447  energy(sigma->0) =      -13.90215127
  exchange ACFDT corr.  =        -0.00590206  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9967


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8889       2 -69.7669       3 -69.7666       4 -69.7831       5 -69.9078
 
 
 
 E-fermi :   3.1540     XC(G=0):  -5.1220     alpha+bet : -8.9779

 Fermi energy:         3.1539886229

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8911      1.00000
      2      -9.9600      1.00000
      3      -8.6059      1.00000
      4      -6.7741      1.00000
      5      -4.3323      1.00000
      6      -1.5906      1.00000
      7       1.6286      1.00000
      8       4.6137     -0.00000
      9       5.4032     -0.00000
     10       7.9246     -0.00000
     11       7.9804     -0.00000
     12      11.8855      0.00000
     13      12.1820      0.00000
     14      16.0584      0.00000
     15      16.0627      0.00000
     16      16.0690      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7575      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7580      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7634      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5909      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5910      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5914      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8126      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8125      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8124      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6213      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6213      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0341      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0345      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0422      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0446      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58891
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58891
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58891
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8247      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8270      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8237      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8446      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8366      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8500      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6779      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6781      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6781      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39986
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39986
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2299     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8693      1.00000
      2      -0.8685      1.00000
      3      -0.8401      1.00000
      4      -0.0046      1.00000
      5       0.0914      1.00000
      6       0.0931      1.00000
      7       1.1073      1.00000
      8       1.1114      1.00000
      9       1.8006      1.00000
     10       2.6669      1.00153
     11       4.0774     -0.00000
     12       4.0859     -0.00000
     13       5.9844     -0.00000
     14       5.9872     -0.00000
     15       6.0694     -0.00000
     16       8.0136     -0.00000
 Fermi energy:         3.1539886229

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8911      1.00000
      2      -9.9600      1.00000
      3      -8.6059      1.00000
      4      -6.7741      1.00000
      5      -4.3323      1.00000
      6      -1.5906      1.00000
      7       1.6286      1.00000
      8       4.6137     -0.00000
      9       5.4032     -0.00000
     10       7.9246     -0.00000
     11       7.9804     -0.00000
     12      11.8855      0.00000
     13      12.1820      0.00000
     14      16.0584      0.00000
     15      16.0608      0.00000
     16      16.0690      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6826      1.00000
      2      -9.7509      1.00000
      3      -8.3957      1.00000
      4      -6.5623      1.00000
      5      -4.1164      1.00000
      6      -1.3805      1.00000
      7       1.8421      1.00000
      8       4.7967     -0.00000
      9       5.5776     -0.00000
     10       8.0925     -0.00000
     11       8.1455     -0.00000
     12      12.0153      0.00000
     13      12.2770      0.00000
     14      13.1222      0.00000
     15      13.8777      0.00000
     16      14.3226      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7599      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7576      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0572      1.00000
      2      -9.1233      1.00000
      3      -7.7650      1.00000
      4      -5.9269      1.00000
      5      -3.4697      1.00000
      6      -0.7515      1.00000
      7       2.4679      1.00001
      8       5.3292     -0.00000
      9       6.0955     -0.00000
     10       8.4753     -0.00000
     11       8.6212      0.00000
     12       9.7280      0.00000
     13      10.2970      0.00000
     14      11.3901      0.00000
     15      12.4981      0.00000
     16      12.7579      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5909      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5913      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0143      1.00000
      2      -8.0764      1.00000
      3      -6.7126      1.00000
      4      -4.8678      1.00000
      5      -2.3981      1.00000
      6       0.2861      1.00000
      7       3.4239     -0.03357
      8       5.6438     -0.00000
      9       6.5344     -0.00000
     10       6.8891     -0.00000
     11       7.0423     -0.00000
     12       8.0774     -0.00000
     13       9.3946      0.00000
     14       9.5719      0.00000
     15       9.7999      0.00000
     16      11.5911      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8125      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8129      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5517      1.00000
      2      -6.6077      1.00000
      3      -5.2371      1.00000
      4      -3.3888      1.00000
      5      -0.9321      1.00000
      6       1.5770      1.00000
      7       2.5449      1.00007
      8       3.5521     -0.00830
      9       4.8162     -0.00000
     10       5.1405     -0.00000
     11       6.5086     -0.00000
     12       7.6366     -0.00000
     13       8.2053     -0.00000
     14       8.7136      0.00000
     15      10.5107      0.00000
     16      10.8127      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6658      1.00000
      2      -4.7147      1.00000
      3      -3.3431      1.00000
      4      -1.5343      1.00000
      5      -0.6709      1.00000
      6       0.1428      1.00000
      7       1.1222      1.00000
      8       2.0285      1.00000
      9       3.6374     -0.00168
     10       3.7392     -0.00014
     11       5.9344     -0.00000
     12       6.7152     -0.00000
     13       8.2342     -0.00000
     14       9.1832      0.00000
     15       9.7443      0.00000
     16      10.4005      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3655      1.00000
      2      -3.3485      1.00000
      3      -2.4123      1.00000
      4      -2.4101      1.00000
      5      -1.2783      1.00000
      6      -0.8899      1.00000
      7       0.6249      1.00000
      8       1.3674      1.00000
      9       3.3862     -0.03473
     10       3.5288     -0.01192
     11       5.6719     -0.00000
     12       6.0176     -0.00000
     13       8.4148     -0.00000
     14       8.8647      0.00000
     15      10.2330      0.00000
     16      10.5328      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6212      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2657      1.00000
      2      -9.3326      1.00000
      3      -7.9753      1.00000
      4      -6.1387      1.00000
      5      -3.6851      1.00000
      6      -0.9609      1.00000
      7       2.2622      1.00000
      8       5.1562     -0.00000
      9       5.9243     -0.00000
     10       8.4174     -0.00000
     11       8.4542     -0.00000
     12      11.4252      0.00000
     13      11.4412      0.00000
     14      11.9020      0.00000
     15      12.0432      0.00000
     16      12.6247      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4316      1.00000
      2      -8.4954      1.00000
      3      -7.1338      1.00000
      4      -5.2914      1.00000
      5      -2.8255      1.00000
      6      -0.1259      1.00000
      7       3.0669      0.83555
      8       5.8104     -0.00000
      9       6.5928     -0.00000
     10       7.8552     -0.00000
     11       8.6132     -0.00000
     12       8.9976      0.00000
     13       9.4154      0.00000
     14       9.8496      0.00000
     15      10.1811      0.00000
     16      10.7409      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0345      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1791      1.00000
      2      -7.2378      1.00000
      3      -5.8698      1.00000
      4      -4.0214      1.00000
      5      -1.5508      1.00000
      6       1.0922      1.00000
      7       3.8130     -0.00002
      8       4.6897     -0.00000
      9       5.4306     -0.00000
     10       6.5197     -0.00000
     11       7.0742     -0.00000
     12       7.6888     -0.00000
     13       8.1698     -0.00000
     14       8.8944      0.00000
     15       9.6201      0.00000
     16      10.0340      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.5052      1.00000
      2      -5.5569      1.00000
      3      -4.1834      1.00000
      4      -2.3420      1.00000
      5       0.0190      1.00000
      6       1.0009      1.00000
      7       1.9991      1.00000
      8       2.9928      0.99217
      9       3.5342     -0.01097
     10       5.1815     -0.00000
     11       5.9088     -0.00000
     12       7.3288     -0.00000
     13       7.9819     -0.00000
     14       8.6413      0.00000
     15       9.0968      0.00000
     16       9.1428      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6599      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6599      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6599      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6599      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.4066      1.00000
      2      -3.4547      1.00000
      3      -2.0998      1.00000
      4      -1.8952      1.00000
      5      -1.0153      1.00000
      6      -0.3638      1.00000
      7       0.6488      1.00000
      8       2.2821      1.00000
      9       2.6598      1.00129
     10       4.7406     -0.00000
     11       4.8987     -0.00000
     12       7.0254     -0.00000
     13       7.4921     -0.00000
     14       8.0214     -0.00000
     15       8.8657      0.00000
     16       9.7000      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0350      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0371      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3881      1.00000
      2      -7.4477      1.00000
      3      -6.0807      1.00000
      4      -4.2328      1.00000
      5      -1.7604      1.00000
      6       0.9003      1.00000
      7       3.9631     -0.00000
      8       6.0169     -0.00000
      9       6.4963     -0.00000
     10       7.2398     -0.00000
     11       7.3127     -0.00000
     12       7.5190     -0.00000
     13       7.5959     -0.00000
     14       8.3909     -0.00000
     15       8.7513      0.00000
     16      10.0368      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9247      1.00000
      2      -5.9781      1.00000
      3      -4.6050      1.00000
      4      -2.7571      1.00000
      5      -0.3120      1.00000
      6       2.1621      1.00000
      7       3.1339      0.58892
      8       4.1264     -0.00000
      9       5.0903     -0.00000
     10       5.3701     -0.00000
     11       5.9187     -0.00000
     12       6.4976     -0.00000
     13       7.0116     -0.00000
     14       7.7630     -0.00000
     15       8.4009     -0.00000
     16       8.7494      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8309      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8227      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8272      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8329      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8283      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0379      1.00000
      2      -4.0856      1.00000
      3      -2.7148      1.00000
      4      -0.9162      1.00000
      5      -0.0544      1.00000
      6       0.7449      1.00000
      7       1.7128      1.00000
      8       2.6002      1.00032
      9       4.0701     -0.00000
     10       4.2589     -0.00000
     11       4.8664     -0.00000
     12       5.7486     -0.00000
     13       6.6324     -0.00000
     14       7.4069     -0.00000
     15       7.5309     -0.00000
     16       8.8488      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7398      1.00000
      2      -2.7225      1.00000
      3      -1.7982      1.00000
      4      -1.7782      1.00000
      5      -0.6640      1.00000
      6      -0.2770      1.00000
      7       1.2253      1.00000
      8       1.9603      1.00000
      9       3.7805     -0.00004
     10       3.8994     -0.00000
     11       4.7248     -0.00000
     12       5.7710     -0.00000
     13       6.3913     -0.00000
     14       6.7596     -0.00000
     15       7.1359     -0.00000
     16       8.6652      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6780      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6779      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2485      1.00000
      2      -4.2965      1.00000
      3      -2.9229      1.00000
      4      -1.0992      1.00000
      5       1.1536      1.00000
      6       2.1003      1.00000
      7       2.2640      1.00000
      8       3.0047      0.97577
      9       3.4706     -0.02391
     10       4.2394     -0.00000
     11       4.4920     -0.00000
     12       4.8638     -0.00000
     13       6.1974     -0.00000
     14       6.8398     -0.00000
     15       7.2554     -0.00000
     16       8.6780      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39986
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39984
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2295     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39984
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39985
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1506      1.00000
      2      -2.2020      1.00000
      3      -0.8628      1.00000
      4      -0.6490      1.00000
      5       0.2076      1.00000
      6       0.8189      1.00000
      7       1.7562      1.00000
      8       1.8354      1.00000
      9       2.5806      1.00019
     10       3.1782      0.39986
     11       4.1321     -0.00000
     12       4.6644     -0.00000
     13       6.0477     -0.00000
     14       6.1447     -0.00000
     15       6.3617     -0.00000
     16       8.2296     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8693      1.00000
      2      -0.8685      1.00000
      3      -0.8401      1.00000
      4      -0.0046      1.00000
      5       0.0914      1.00000
      6       0.0931      1.00000
      7       1.1073      1.00000
      8       1.1114      1.00000
      9       1.8006      1.00000
     10       2.6669      1.00153
     11       4.0774     -0.00000
     12       4.0859     -0.00000
     13       5.9844     -0.00000
     14       5.9872     -0.00000
     15       6.0694     -0.00000
     16       8.0137     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.880  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.880   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.967 -61.938   0.000  -0.152   0.000  -0.000  -0.011   0.000
-61.938  33.081  -0.000   0.073   0.000   0.000   0.007  -0.000
  0.000  -0.000   2.065  -0.000  -0.000  -0.320   0.000   0.000
 -0.152   0.073  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000   0.000  -0.000   0.000   2.065   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.3403: real time    429.4092
    FORNL :  cpu time      0.4970: real time      0.5030
    FORCOR:  cpu time      1.9664: real time      1.9783
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.182E-05 0.287E-05 0.182E+03   0.359E-13 0.288E-13 -.181E+03   -.197E-05 -.338E-05 -.106E+01
   0.233E-06 0.228E-05 0.923E+02   0.922E-14 0.114E-14 -.923E+02   -.204E-06 -.154E-05 -.839E-01
   -.489E-06 -.155E-05 -.231E-01   -.144E-12 -.810E-13 0.220E-01   0.398E-06 0.609E-06 0.304E-02
   0.151E-05 0.278E-05 -.924E+02   0.132E-12 0.774E-13 0.923E+02   -.125E-05 -.315E-05 0.104E+00
   0.277E-06 -.345E-05 -.181E+03   -.422E-13 -.232E-13 0.181E+03   0.741E-07 0.369E-05 0.106E+01
 -----------------------------------------------------------------------------------------------
   0.157E-05 0.198E-05 -.571E-02   -.971E-14 0.313E-14 0.568E-13   -.295E-05 -.377E-05 0.212E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.029316
      0.00000      0.00000      2.37149        -0.000000      0.000001     -0.008498
      1.42873      0.82488      4.68670        -0.000000     -0.000001     -0.001362
      2.85746      1.64976      7.00172         0.000000     -0.000000      0.013963
      0.00000      0.00000      9.37542        -0.000000      0.000000      0.025212
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002     -0.000002      0.017346


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90435468 eV

  energy  without entropy=      -13.89774447  energy(sigma->0) =      -13.90215127
 
 d Force =-0.8553541E-04[-0.979E-04,-0.732E-04]  d Energy =-0.8230636E-04-0.323E-05
 d Force =-0.6784354E+00[-0.679E+00,-0.678E+00]  d Ewald  =-0.6784354E+00 0.109E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9634: real time      1.9753


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.436E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   8.0260
 eigenvalue spectrum of G is  8.0260


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0680
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9637: real time      1.9757
    EDDIAG:  cpu time    593.3505: real time    598.3644
    CHARGE:  cpu time      0.2681: real time      0.2704
 writing wavefunctions
     LOOP+:  cpu time   6358.3683: real time   6412.2809


--------------------------------------- Iteration     67(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7309
    SETDIJ:  cpu time      1.2282: real time      1.2339
    TRIAL :  cpu time    590.4720: real time    595.4894
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    592.7085: real time    597.7408

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2365923E-02  (-0.1631891E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0010542 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -698.22752200
  -exchange      EXHF   =        33.24544918
  -V(xc)+E(xc)   XCENC  =       -83.55559746
  PAW double counting   =    100898.51949303  -100797.55944231
  entropy T*S    EENTRO =        -0.00636425
  eigenvalues    EBANDS =       -34.63042314
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90198448 eV

  energy without entropy =      -13.89562022  energy(sigma->0) =      -13.89986306
  exchange ACFDT corr.  =        -0.00570213  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7284
    SETDIJ:  cpu time      1.2297: real time      1.2350
    TRIAL :  cpu time    588.9873: real time    594.0241
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    591.2126: real time    596.2631

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9458189E-03  (-0.1329036E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0010549 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.76145350
  -exchange      EXHF   =        33.24268702
  -V(xc)+E(xc)   XCENC  =       -83.55655746
  PAW double counting   =    100887.06524745  -100786.10519609
  entropy T*S    EENTRO =        -0.00634445
  eigenvalues    EBANDS =       -35.09375903
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90293029 eV

  energy without entropy =      -13.89658585  energy(sigma->0) =      -13.90081548
  exchange ACFDT corr.  =        -0.00566242  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    590.1076: real time    595.1572
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    592.3346: real time    597.3983

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8831499E-03  (-0.5822324E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0010597 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.54502744
  -exchange      EXHF   =        33.24043482
  -V(xc)+E(xc)   XCENC  =       -83.55732450
  PAW double counting   =    100878.36694243  -100777.40682339
  entropy T*S    EENTRO =        -0.00634388
  eigenvalues    EBANDS =       -35.30813650
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90381344 eV

  energy without entropy =      -13.89746957  energy(sigma->0) =      -13.90169882
  exchange ACFDT corr.  =        -0.00563662  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    590.7035: real time    595.7681
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    592.9301: real time    598.0084

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4182846E-03  (-0.3275814E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010676 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.63495292
  -exchange      EXHF   =        33.23970203
  -V(xc)+E(xc)   XCENC  =       -83.55756641
  PAW double counting   =    100876.71610956  -100775.75609697
  entropy T*S    EENTRO =        -0.00633301
  eigenvalues    EBANDS =       -35.21754870
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90423173 eV

  energy without entropy =      -13.89789872  energy(sigma->0) =      -13.90212072
  exchange ACFDT corr.  =        -0.00562741  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7288
    SETDIJ:  cpu time      1.2284: real time      1.2343
    TRIAL :  cpu time    591.5410: real time    596.6126
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.7653: real time    598.8512

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1866002E-03  (-0.1735095E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010730 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.71919846
  -exchange      EXHF   =        33.23975502
  -V(xc)+E(xc)   XCENC  =       -83.55754762
  PAW double counting   =    100878.74620782  -100777.78627096
  entropy T*S    EENTRO =        -0.00630959
  eigenvalues    EBANDS =       -35.13349669
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90441833 eV

  energy without entropy =      -13.89810874  energy(sigma->0) =      -13.90231513
  exchange ACFDT corr.  =        -0.00561641  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2302: real time      1.2356
    TRIAL :  cpu time    589.6886: real time    594.7599
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2687: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    591.9144: real time    596.9992

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1089652E-03  (-0.5463768E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010743 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.69617125
  -exchange      EXHF   =        33.23992911
  -V(xc)+E(xc)   XCENC  =       -83.55749246
  PAW double counting   =    100884.90405953  -100783.94420820
  entropy T*S    EENTRO =        -0.00628803
  eigenvalues    EBANDS =       -35.15680001
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90452729 eV

  energy without entropy =      -13.89823927  energy(sigma->0) =      -13.90243129
  exchange ACFDT corr.  =        -0.00559980  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2296: real time      1.2353
    TRIAL :  cpu time    591.6691: real time    596.7273
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.8948: real time    598.9673

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3705395E-04  (-0.4237696E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010722 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.67270030
  -exchange      EXHF   =        33.24012893
  -V(xc)+E(xc)   XCENC  =       -83.55742186
  PAW double counting   =    100894.08655210  -100793.12670170
  entropy T*S    EENTRO =        -0.00627562
  eigenvalues    EBANDS =       -35.18059906
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90456435 eV

  energy without entropy =      -13.89828873  energy(sigma->0) =      -13.90247247
  exchange ACFDT corr.  =        -0.00558480  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2305: real time      1.2359
    TRIAL :  cpu time    590.9425: real time    595.9877
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.1687: real time    598.2277

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2594423E-04  (-0.2892503E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010681 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.70267555
  -exchange      EXHF   =        33.24033075
  -V(xc)+E(xc)   XCENC  =       -83.55734536
  PAW double counting   =    100905.24818325  -100804.28834235
  entropy T*S    EENTRO =        -0.00626654
  eigenvalues    EBANDS =       -35.15093098
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90459029 eV

  energy without entropy =      -13.89832375  energy(sigma->0) =      -13.90250145
  exchange ACFDT corr.  =        -0.00557509  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7237: real time      0.7301
    SETDIJ:  cpu time      1.2298: real time      1.2352
    TRIAL :  cpu time    590.8528: real time    595.8892
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    593.0793: real time    598.1297

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2096390E-04  (-0.1454070E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010632 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.73289248
  -exchange      EXHF   =        33.24038291
  -V(xc)+E(xc)   XCENC  =       -83.55732140
  PAW double counting   =    100916.22749750  -100815.26766047
  entropy T*S    EENTRO =        -0.00625503
  eigenvalues    EBANDS =       -35.12081633
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90461126 eV

  energy without entropy =      -13.89835623  energy(sigma->0) =      -13.90252625
  exchange ACFDT corr.  =        -0.00556686  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7291
    SETDIJ:  cpu time      1.2306: real time      1.2359
    TRIAL :  cpu time    591.0681: real time    596.1278
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    593.2958: real time    598.3697

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1144032E-04  (-0.9959055E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010586 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.72278583
  -exchange      EXHF   =        33.24025683
  -V(xc)+E(xc)   XCENC  =       -83.55736072
  PAW double counting   =    100925.77875239  -100824.81890388
  entropy T*S    EENTRO =        -0.00624271
  eigenvalues    EBANDS =       -35.13079202
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90462270 eV

  energy without entropy =      -13.89837999  energy(sigma->0) =      -13.90254179
  exchange ACFDT corr.  =        -0.00555691  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     67(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    590.4953: real time    595.5357
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    587.7856: real time    592.7386
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time   1180.5071: real time   1190.5145

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6522256E-05  (-0.4670094E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0010547 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       399.73108132
  -Hartree energ DENC   =      -697.69783397
  -exchange      EXHF   =        33.24002611
  -V(xc)+E(xc)   XCENC  =       -83.55741093
  PAW double counting   =    100933.94936019  -100832.98948289
  entropy T*S    EENTRO =        -0.00623283
  eigenvalues    EBANDS =       -35.15558320
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90462922 eV

  energy without entropy =      -13.89839639  energy(sigma->0) =      -13.90255161
  exchange ACFDT corr.  =        -0.00554671  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9867


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9015       2 -69.7803       3 -69.7733       4 -69.7774       5 -69.8938
 
 
 
 E-fermi :   3.1554     XC(G=0):  -5.1239     alpha+bet : -8.9779

 Fermi energy:         3.1554416458

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8846      1.00000
      2      -9.9552      1.00000
      3      -8.6037      1.00000
      4      -6.7753      1.00000
      5      -4.3414      1.00000
      6      -1.5946      1.00000
      7       1.6130      1.00000
      8       4.6040     -0.00000
      9       5.4025     -0.00000
     10       7.9232     -0.00000
     11       7.9750     -0.00000
     12      11.8848      0.00000
     13      12.1765      0.00000
     14      16.0647      0.00000
     15      16.0687      0.00000
     16      16.0754      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7564      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7569      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7620      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5850      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5852      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5856      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8085      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8084      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8084      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3796     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3795     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3796     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6199      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6198      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6200      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0274      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8949     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0316      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0408      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0446      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8215      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8246      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8214      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8395      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8334      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8454      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02288
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6716      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02289
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6717      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02288
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6717      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2251     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8616      1.00000
      2      -0.8604      1.00000
      3      -0.8317      1.00000
      4       0.0017      1.00000
      5       0.0968      1.00000
      6       0.0995      1.00000
      7       1.1112      1.00000
      8       1.1149      1.00000
      9       1.8033      1.00000
     10       2.6683      1.00155
     11       4.0796     -0.00000
     12       4.0819     -0.00000
     13       5.9780     -0.00000
     14       5.9800     -0.00000
     15       6.0595     -0.00000
     16       8.0115     -0.00000
 Fermi energy:         3.1554416458

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8846      1.00000
      2      -9.9552      1.00000
      3      -8.6037      1.00000
      4      -6.7753      1.00000
      5      -4.3414      1.00000
      6      -1.5946      1.00000
      7       1.6130      1.00000
      8       4.6040     -0.00000
      9       5.4025     -0.00000
     10       7.9232     -0.00000
     11       7.9750     -0.00000
     12      11.8848      0.00000
     13      12.1765      0.00000
     14      16.0647      0.00000
     15      16.0675      0.00000
     16      16.0754      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6761      1.00000
      2      -9.7461      1.00000
      3      -8.3935      1.00000
      4      -6.5634      1.00000
      5      -4.1255      1.00000
      6      -1.3845      1.00000
      7       1.8265      1.00000
      8       4.7871     -0.00000
      9       5.5769     -0.00000
     10       8.0912     -0.00000
     11       8.1402     -0.00000
     12      12.0153      0.00000
     13      12.2723      0.00000
     14      13.1274      0.00000
     15      13.8818      0.00000
     16      14.3292      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7584      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7565      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0506      1.00000
      2      -9.1185      1.00000
      3      -7.7626      1.00000
      4      -5.9279      1.00000
      5      -3.4787      1.00000
      6      -0.7553      1.00000
      7       2.4529      1.00000
      8       5.3199     -0.00000
      9       6.0949     -0.00000
     10       8.4744     -0.00000
     11       8.6181      0.00000
     12       9.7320      0.00000
     13      10.3024      0.00000
     14      11.3924      0.00000
     15      12.4958      0.00000
     16      12.7566      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5851      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5855      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.0074      1.00000
      2      -8.0714      1.00000
      3      -6.7101      1.00000
      4      -4.8686      1.00000
      5      -2.4067      1.00000
      6       0.2826      1.00000
      7       3.4111     -0.03490
      8       5.6456     -0.00000
      9       6.5322     -0.00000
     10       6.8923     -0.00000
     11       7.0419     -0.00000
     12       8.0801     -0.00000
     13       9.3936      0.00000
     14       9.5693      0.00000
     15       9.7971      0.00000
     16      11.5852      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8085      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8087      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5446      1.00000
      2      -6.6025      1.00000
      3      -5.2343      1.00000
      4      -3.3892      1.00000
      5      -0.9402      1.00000
      6       1.5760      1.00000
      7       2.5515      1.00009
      8       3.5569     -0.00767
      9       4.8180     -0.00000
     10       5.1292     -0.00000
     11       6.5086     -0.00000
     12       7.6285     -0.00000
     13       8.2048     -0.00000
     14       8.7064      0.00000
     15      10.5089      0.00000
     16      10.8085      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6583      1.00000
      2      -4.7093      1.00000
      3      -3.3401      1.00000
      4      -1.5341      1.00000
      5      -0.6629      1.00000
      6       0.1461      1.00000
      7       1.1198      1.00000
      8       2.0289      1.00000
      9       3.6373     -0.00169
     10       3.7364     -0.00015
     11       5.9272     -0.00000
     12       6.7036     -0.00000
     13       8.2308     -0.00000
     14       9.1765      0.00000
     15       9.7441      0.00000
     16      10.4075      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3796     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3795     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3576      1.00000
      2      -3.3405      1.00000
      3      -2.4065      1.00000
      4      -2.4044      1.00000
      5      -1.2747      1.00000
      6      -0.8869      1.00000
      7       0.6256      1.00000
      8       1.3666      1.00000
      9       3.3796     -0.03371
     10       3.5199     -0.01331
     11       5.6702     -0.00000
     12       6.0141     -0.00000
     13       8.4033     -0.00000
     14       8.8567      0.00000
     15      10.2399      0.00000
     16      10.5306      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6199      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6198      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2591      1.00000
      2      -9.3277      1.00000
      3      -7.9730      1.00000
      4      -6.1397      1.00000
      5      -3.6941      1.00000
      6      -0.9648      1.00000
      7       2.2469      1.00000
      8       5.1468     -0.00000
      9       5.9237     -0.00000
     10       8.4164     -0.00000
     11       8.4493     -0.00000
     12      11.4314      0.00000
     13      11.4481      0.00000
     14      11.9053      0.00000
     15      12.0466      0.00000
     16      12.6224      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4249      1.00000
      2      -8.4905      1.00000
      3      -7.1314      1.00000
      4      -5.2922      1.00000
      5      -2.8343      1.00000
      6      -0.1295      1.00000
      7       3.0527      0.87212
      8       5.8022     -0.00000
      9       6.5924     -0.00000
     10       7.8616     -0.00000
     11       8.6164      0.00000
     12       8.9969      0.00000
     13       9.4143      0.00000
     14       9.8516      0.00000
     15      10.1853      0.00000
     16      10.7460      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0277      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1721      1.00000
      2      -7.2327      1.00000
      3      -5.8672      1.00000
      4      -4.0220      1.00000
      5      -1.5591      1.00000
      6       1.0892      1.00000
      7       3.8111     -0.00002
      8       4.6894     -0.00000
      9       5.4329     -0.00000
     10       6.5216     -0.00000
     11       7.0679     -0.00000
     12       7.6883     -0.00000
     13       8.1702     -0.00000
     14       8.9006      0.00000
     15       9.6230      0.00000
     16      10.0273      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4979      1.00000
      2      -5.5515      1.00000
      3      -4.1805      1.00000
      4      -2.3422      1.00000
      5       0.0126      1.00000
      6       1.0083      1.00000
      7       2.0036      1.00000
      8       2.9917      0.99350
      9       3.5363     -0.01060
     10       5.1815     -0.00000
     11       5.8979     -0.00000
     12       7.3235     -0.00000
     13       7.9830     -0.00000
     14       8.6378      0.00000
     15       9.0962      0.00000
     16       9.1448      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3989      1.00000
      2      -3.4491      1.00000
      3      -2.0966      1.00000
      4      -1.8870      1.00000
      5      -1.0098      1.00000
      6      -0.3625      1.00000
      7       0.6508      1.00000
      8       2.2794      1.00000
      9       2.6550      1.00118
     10       4.7348     -0.00000
     11       4.8948     -0.00000
     12       7.0245     -0.00000
     13       7.4895     -0.00000
     14       8.0203     -0.00000
     15       8.8666      0.00000
     16       9.6963      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0320      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0353      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3812      1.00000
      2      -7.4426      1.00000
      3      -6.0781      1.00000
      4      -4.2334      1.00000
      5      -1.7689      1.00000
      6       0.8972      1.00000
      7       3.9519     -0.00000
      8       6.0190     -0.00000
      9       6.5026     -0.00000
     10       7.2433     -0.00000
     11       7.3122     -0.00000
     12       7.5232     -0.00000
     13       7.5953     -0.00000
     14       8.3939     -0.00000
     15       8.7533      0.00000
     16      10.0338      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55726
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55726
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55727
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9175      1.00000
      2      -5.9728      1.00000
      3      -4.6022      1.00000
      4      -2.7574      1.00000
      5      -0.3198      1.00000
      6       2.1613      1.00000
      7       3.1407      0.55726
      8       4.1313     -0.00000
      9       5.0914     -0.00000
     10       5.3733     -0.00000
     11       5.9182     -0.00000
     12       6.4982     -0.00000
     13       7.0120     -0.00000
     14       7.7626     -0.00000
     15       8.3948     -0.00000
     16       8.7489      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8266      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8198      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8247      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8298      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8263      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0304      1.00000
      2      -4.0801      1.00000
      3      -2.7117      1.00000
      4      -0.9158      1.00000
      5      -0.0465      1.00000
      6       0.7482      1.00000
      7       1.7106      1.00000
      8       2.6010      1.00032
      9       4.0710     -0.00000
     10       4.2577     -0.00000
     11       4.8719     -0.00000
     12       5.7512     -0.00000
     13       6.6297     -0.00000
     14       7.4061     -0.00000
     15       7.5196     -0.00000
     16       8.8435      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7319      1.00000
      2      -2.7144      1.00000
      3      -1.7924      1.00000
      4      -1.7723      1.00000
      5      -0.6604      1.00000
      6      -0.2740      1.00000
      7       1.2261      1.00000
      8       1.9597      1.00000
      9       3.7759     -0.00005
     10       3.8949     -0.00000
     11       4.7283     -0.00000
     12       5.7737     -0.00000
     13       6.3903     -0.00000
     14       6.7568     -0.00000
     15       7.1375     -0.00000
     16       8.6643      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02288
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6716      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02289
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6716      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2410      1.00000
      2      -4.2910      1.00000
      3      -2.9198      1.00000
      4      -1.0991      1.00000
      5       1.1482      1.00000
      6       2.1075      1.00000
      7       2.2720      1.00000
      8       3.0106      0.96641
      9       3.4753     -0.02289
     10       4.2413     -0.00000
     11       4.4918     -0.00000
     12       4.8658     -0.00000
     13       6.1978     -0.00000
     14       6.8385     -0.00000
     15       7.2433     -0.00000
     16       8.6716      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2250     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39794
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1427      1.00000
      2      -2.1962      1.00000
      3      -0.8594      1.00000
      4      -0.6409      1.00000
      5       0.2132      1.00000
      6       0.8206      1.00000
      7       1.7630      1.00000
      8       1.8386      1.00000
      9       2.5849      1.00021
     10       3.1792      0.39793
     11       4.1281     -0.00000
     12       4.6644     -0.00000
     13       6.0451     -0.00000
     14       6.1423     -0.00000
     15       6.3559     -0.00000
     16       8.2249     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8616      1.00000
      2      -0.8604      1.00000
      3      -0.8317      1.00000
      4       0.0017      1.00000
      5       0.0968      1.00000
      6       0.0995      1.00000
      7       1.1112      1.00000
      8       1.1149      1.00000
      9       1.8033      1.00000
     10       2.6683      1.00155
     11       4.0796     -0.00000
     12       4.0819     -0.00000
     13       5.9780     -0.00000
     14       5.9800     -0.00000
     15       6.0595     -0.00000
     16       8.0116     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.949 -61.928  -0.000  -0.151   0.000   0.000  -0.011  -0.000
-61.928  33.076   0.000   0.072  -0.000  -0.000   0.007   0.000
 -0.000   0.000   2.064  -0.000  -0.000  -0.320   0.000   0.000
 -0.151   0.072  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.064   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.4284: real time    429.4952
    FORNL :  cpu time      0.4991: real time      0.5051
    FORCOR:  cpu time      1.9556: real time      1.9671
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.241E-06 -.427E-06 0.181E+03   0.403E-13 0.238E-13 -.180E+03   -.271E-06 0.244E-06 -.106E+01
   -.133E-05 -.159E-05 0.921E+02   0.424E-14 0.772E-14 -.921E+02   0.494E-06 0.168E-05 -.916E-01
   0.104E-05 0.656E-06 -.839E-01   -.148E-12 -.865E-13 0.791E-01   -.787E-06 -.215E-06 0.755E-02
   -.399E-05 -.475E-05 -.922E+02   0.138E-12 0.847E-13 0.921E+02   0.338E-05 0.637E-05 0.986E-01
   0.475E-05 0.605E-05 -.181E+03   -.446E-13 -.265E-13 0.180E+03   -.408E-05 -.623E-05 0.104E+01
 -----------------------------------------------------------------------------------------------
   0.280E-05 0.108E-05 0.136E-03   -.971E-14 0.313E-14 0.284E-13   -.126E-05 0.184E-05 -.438E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.024402
      0.00000      0.00000      2.37286        -0.000001     -0.000000     -0.009696
      1.42873      0.82488      4.69017         0.000000     -0.000000      0.003359
      2.85746      1.64976      7.00917        -0.000001      0.000001      0.013524
      0.00000      0.00000      9.38562         0.000001     -0.000001      0.017216
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000003     -0.004681


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90462922 eV

  energy  without entropy=      -13.89839639  energy(sigma->0) =      -13.90255161
 
 d Force = 0.3097407E-03[ 0.275E-03, 0.345E-03]  d Energy = 0.2745432E-03 0.352E-04
 d Force = 0.2400511E+01[ 0.240E+01, 0.240E+01]  d Ewald  = 0.2400511E+01-0.454E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9543: real time      1.9661


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.282E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  16.5537
 eigenvalue spectrum of G is 16.5537


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0414
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0845: real time      0.0849
    POTLOK:  cpu time      1.9546: real time      1.9664
    EDDIAG:  cpu time    590.8894: real time    595.8852
    CHARGE:  cpu time      0.2684: real time      0.2706
 writing wavefunctions
     LOOP+:  cpu time   8133.7943: real time   8202.7074


--------------------------------------- Iteration     68(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7270: real time      0.7331
    SETDIJ:  cpu time      1.2316: real time      1.2370
    TRIAL :  cpu time    588.8851: real time    593.8668
    CORREC:  cpu time      0.0041: real time      0.0041
    CHARGE:  cpu time      0.2687: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time    591.1265: real time    596.1226

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4692781E-02  (-0.2590850E-02)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0012082 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -695.10256390
  -exchange      EXHF   =        33.22862564
  -V(xc)+E(xc)   XCENC  =       -83.56102207
  PAW double counting   =    100759.93547945  -100658.97432346
  entropy T*S    EENTRO =        -0.00569644
  eigenvalues    EBANDS =       -34.40136915
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89992992 eV

  energy without entropy =      -13.89423347  energy(sigma->0) =      -13.89803110
  exchange ACFDT corr.  =        -0.00518514  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7286
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    585.4273: real time    590.3903
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    587.6550: real time    592.6318

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1801634E-02  (-0.2140035E-02)
 number of electron      15.0000000 magnetization      -0.0000007
 augmentation part       -0.0012051 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.47013987
  -exchange      EXHF   =        33.22497178
  -V(xc)+E(xc)   XCENC  =       -83.56229788
  PAW double counting   =    100743.29029605  -100642.32908250
  entropy T*S    EENTRO =        -0.00566152
  eigenvalues    EBANDS =       -35.03079854
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90173155 eV

  energy without entropy =      -13.89607003  energy(sigma->0) =      -13.89984438
  exchange ACFDT corr.  =        -0.00520045  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7287
    SETDIJ:  cpu time      1.2295: real time      1.2353
    TRIAL :  cpu time    588.7580: real time    593.8045
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    590.9843: real time    596.0451

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1553382E-02  (-0.1154578E-02)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0012073 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.18418465
  -exchange      EXHF   =        33.22200913
  -V(xc)+E(xc)   XCENC  =       -83.56330890
  PAW double counting   =    100733.41129349  -100632.45009978
  entropy T*S    EENTRO =        -0.00566224
  eigenvalues    EBANDS =       -35.31434856
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90328493 eV

  energy without entropy =      -13.89762269  energy(sigma->0) =      -13.90139752
  exchange ACFDT corr.  =        -0.00509563  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2296: real time      1.2353
    TRIAL :  cpu time    591.4961: real time    596.5327
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    593.7213: real time    598.7720

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8493717E-03  (-0.5932925E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0012141 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.31521782
  -exchange      EXHF   =        33.22104880
  -V(xc)+E(xc)   XCENC  =       -83.56362283
  PAW double counting   =    100734.75020896  -100633.78909369
  entropy T*S    EENTRO =        -0.00564677
  eigenvalues    EBANDS =       -35.18281134
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90413430 eV

  energy without entropy =      -13.89848753  energy(sigma->0) =      -13.90225205
  exchange ACFDT corr.  =        -0.00508322  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2283: real time      1.2350
    TRIAL :  cpu time    591.7207: real time    596.7938
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.9454: real time    599.0340

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3977180E-03  (-0.3104269E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0012174 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.43144728
  -exchange      EXHF   =        33.22110474
  -V(xc)+E(xc)   XCENC  =       -83.56360552
  PAW double counting   =    100743.06984297  -100642.10884306
  entropy T*S    EENTRO =        -0.00560989
  eigenvalues    EBANDS =       -35.06695295
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90453202 eV

  energy without entropy =      -13.89892213  energy(sigma->0) =      -13.90266206
  exchange ACFDT corr.  =        -0.00506732  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7296
    SETDIJ:  cpu time      1.2300: real time      1.2358
    TRIAL :  cpu time    590.3430: real time    595.3645
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    592.5702: real time    597.6058

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2159547E-03  (-0.1246411E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0012149 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.39557788
  -exchange      EXHF   =        33.22130323
  -V(xc)+E(xc)   XCENC  =       -83.56354592
  PAW double counting   =    100758.76423033  -100657.80332085
  entropy T*S    EENTRO =        -0.00557586
  eigenvalues    EBANDS =       -35.10324286
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90474798 eV

  energy without entropy =      -13.89917211  energy(sigma->0) =      -13.90288936
  exchange ACFDT corr.  =        -0.00504326  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2308: real time      1.2363
    TRIAL :  cpu time    590.2183: real time    595.2452
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    592.4460: real time    597.4866

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8996042E-04  (-0.7948539E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0012082 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.35952334
  -exchange      EXHF   =        33.22154230
  -V(xc)+E(xc)   XCENC  =       -83.56346207
  PAW double counting   =    100779.91093863  -100678.95012280
  entropy T*S    EENTRO =        -0.00555684
  eigenvalues    EBANDS =       -35.13965065
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90483794 eV

  energy without entropy =      -13.89928110  energy(sigma->0) =      -13.90298566
  exchange ACFDT corr.  =        -0.00502165  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7239: real time      0.7301
    SETDIJ:  cpu time      1.2312: real time      1.2366
    TRIAL :  cpu time    589.4052: real time    594.3759
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    591.6339: real time    596.6185

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5841818E-04  (-0.5396858E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011993 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.39973557
  -exchange      EXHF   =        33.22180182
  -V(xc)+E(xc)   XCENC  =       -83.56336455
  PAW double counting   =    100803.05004331  -100702.08923080
  entropy T*S    EENTRO =        -0.00554310
  eigenvalues    EBANDS =       -35.09986958
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90489635 eV

  energy without entropy =      -13.89935325  energy(sigma->0) =      -13.90304865
  exchange ACFDT corr.  =        -0.00500775  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7295
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    590.3089: real time    595.2701
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.5381: real time    597.5129

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4178833E-04  (-0.3065405E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011892 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.44191983
  -exchange      EXHF   =        33.22187402
  -V(xc)+E(xc)   XCENC  =       -83.56333273
  PAW double counting   =    100825.13906356  -100724.17818400
  entropy T*S    EENTRO =        -0.00552515
  eigenvalues    EBANDS =       -35.05791191
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90493814 eV

  energy without entropy =      -13.89941299  energy(sigma->0) =      -13.90309643
  exchange ACFDT corr.  =        -0.00499633  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2292: real time      1.2346
    TRIAL :  cpu time    590.5318: real time    595.4820
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    592.7581: real time    597.7221

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2468142E-04  (-0.1875274E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011798 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.42882975
  -exchange      EXHF   =        33.22171223
  -V(xc)+E(xc)   XCENC  =       -83.56338296
  PAW double counting   =    100845.32998780  -100744.36909601
  entropy T*S    EENTRO =        -0.00550588
  eigenvalues    EBANDS =       -35.07084484
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90496282 eV

  energy without entropy =      -13.89945695  energy(sigma->0) =      -13.90312753
  exchange ACFDT corr.  =        -0.00498276  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2304: real time      1.2357
    TRIAL :  cpu time    589.5872: real time    594.6024
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    591.8136: real time    596.8433

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1374945E-04  (-0.9029082E-05)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0011719 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.39505661
  -exchange      EXHF   =        33.22150664
  -V(xc)+E(xc)   XCENC  =       -83.56344827
  PAW double counting   =    100862.70186826  -100761.74097319
  entropy T*S    EENTRO =        -0.00549081
  eigenvalues    EBANDS =       -35.10438339
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90497657 eV

  energy without entropy =      -13.89948577  energy(sigma->0) =      -13.90314631
  exchange ACFDT corr.  =        -0.00496892  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     68(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2309: real time      1.2362
    TRIAL :  cpu time    589.7491: real time    594.7315
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.9155: real time    594.9025
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time   1181.8911: real time   1191.8742

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6913775E-05  (-0.4364604E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0011657 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       396.39963161
  -Hartree energ DENC   =      -694.38624931
  -exchange      EXHF   =        33.22141266
  -V(xc)+E(xc)   XCENC  =       -83.56347377
  PAW double counting   =    100877.71102178  -100776.75013014
  entropy T*S    EENTRO =        -0.00547956
  eigenvalues    EBANDS =       -35.11309011
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90498349 eV

  energy without entropy =      -13.89950393  energy(sigma->0) =      -13.90315697
  exchange ACFDT corr.  =        -0.00495782  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9455


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8966       2 -69.7815       3 -69.7809       4 -69.7854       5 -69.8982
 
 
 
 E-fermi :   3.1566     XC(G=0):  -5.1263     alpha+bet : -8.9779

 Fermi energy:         3.1566488348

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8740      1.00000
      2      -9.9495      1.00000
      3      -8.6010      1.00000
      4      -6.7759      1.00000
      5      -4.3539      1.00000
      6      -1.5999      1.00000
      7       1.5910      1.00000
      8       4.5913     -0.00000
      9       5.4019     -0.00000
     10       7.9214     -0.00000
     11       7.9678     -0.00000
     12      11.8837      0.00000
     13      12.1695      0.00000
     14      16.0753      0.00000
     15      16.0791      0.00000
     16      16.0856      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7558      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7561      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7609      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03531
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5773      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03531
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5774      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03531
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5778      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8034      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8033      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8031      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6181      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6180      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6183      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92281
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0281      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0392      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0450      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51311
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51311
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8185      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8213      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8190      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8333      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8311      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8412      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6631      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6632      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6632      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39440
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39441
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39440
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39440
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39441
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39440
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2188     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8489      1.00000
      2      -0.8481      1.00000
      3      -0.8184      1.00000
      4       0.0103      1.00000
      5       0.1038      1.00000
      6       0.1063      1.00000
      7       1.1160      1.00000
      8       1.1197      1.00000
      9       1.8069      1.00000
     10       2.6710      1.00161
     11       4.0799     -0.00000
     12       4.0809     -0.00000
     13       5.9676     -0.00000
     14       5.9720     -0.00000
     15       6.0460     -0.00000
     16       8.0089     -0.00000
 Fermi energy:         3.1566488348

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8740      1.00000
      2      -9.9495      1.00000
      3      -8.6010      1.00000
      4      -6.7759      1.00000
      5      -4.3539      1.00000
      6      -1.5999      1.00000
      7       1.5910      1.00000
      8       4.5913     -0.00000
      9       5.4019     -0.00000
     10       7.9214     -0.00000
     11       7.9678     -0.00000
     12      11.8837      0.00000
     13      12.1695      0.00000
     14      16.0753      0.00000
     15      16.0780      0.00000
     16      16.0856      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6655      1.00000
      2      -9.7404      1.00000
      3      -8.3908      1.00000
      4      -6.5640      1.00000
      5      -4.1379      1.00000
      6      -1.3898      1.00000
      7       1.8046      1.00000
      8       4.7745     -0.00000
      9       5.5763     -0.00000
     10       8.0895     -0.00000
     11       8.1331     -0.00000
     12      12.0152      0.00000
     13      12.2664      0.00000
     14      13.1360      0.00000
     15      13.8871      0.00000
     16      14.3399      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7558      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0399      1.00000
      2      -9.1126      1.00000
      3      -7.7598      1.00000
      4      -5.9283      1.00000
      5      -3.4909      1.00000
      6      -0.7603      1.00000
      7       2.4316      1.00000
      8       5.3078     -0.00000
      9       6.0944     -0.00000
     10       8.4734     -0.00000
     11       8.6140     -0.00000
     12       9.7391      0.00000
     13      10.3091      0.00000
     14      11.3950      0.00000
     15      12.4926      0.00000
     16      12.7556      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03532
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5774      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03532
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5777      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9965      1.00000
      2      -8.0654      1.00000
      3      -6.7071      1.00000
      4      -4.8686      1.00000
      5      -2.4186      1.00000
      6       0.2783      1.00000
      7       3.3932     -0.03532
      8       5.6487     -0.00000
      9       6.5299     -0.00000
     10       6.8963     -0.00000
     11       7.0419     -0.00000
     12       8.0833     -0.00000
     13       9.3924      0.00000
     14       9.5661      0.00000
     15       9.7938      0.00000
     16      11.5775      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8033      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8035      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5333      1.00000
      2      -6.5962      1.00000
      3      -5.2310      1.00000
      4      -3.3888      1.00000
      5      -0.9511      1.00000
      6       1.5750      1.00000
      7       2.5621      1.00012
      8       3.5627     -0.00703
      9       4.8198     -0.00000
     10       5.1138     -0.00000
     11       6.5097     -0.00000
     12       7.6179     -0.00000
     13       8.2044     -0.00000
     14       8.6967      0.00000
     15      10.5065      0.00000
     16      10.8032      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6464      1.00000
      2      -4.7026      1.00000
      3      -3.3364      1.00000
      4      -1.5328      1.00000
      5      -0.6502      1.00000
      6       0.1500      1.00000
      7       1.1164      1.00000
      8       2.0292      1.00000
      9       3.6378     -0.00170
     10       3.7332     -0.00017
     11       5.9174     -0.00000
     12       6.6875     -0.00000
     13       8.2263     -0.00000
     14       9.1677      0.00000
     15       9.7442      0.00000
     16      10.4188      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3451      1.00000
      2      -3.3277      1.00000
      3      -2.3996      1.00000
      4      -2.3972      1.00000
      5      -1.2703      1.00000
      6      -0.8832      1.00000
      7       0.6275      1.00000
      8       1.3665      1.00000
      9       3.3705     -0.03131
     10       3.5079     -0.01572
     11       5.6683     -0.00000
     12       6.0096     -0.00000
     13       8.3873     -0.00000
     14       8.8457      0.00000
     15      10.2512      0.00000
     16      10.5282      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6181      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6180      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2484      1.00000
      2      -9.3219      1.00000
      3      -7.9702      1.00000
      4      -6.1402      1.00000
      5      -3.7064      1.00000
      6      -0.9699      1.00000
      7       2.2253      1.00000
      8       5.1344     -0.00000
      9       5.9231     -0.00000
     10       8.4150     -0.00000
     11       8.4427     -0.00000
     12      11.4420      0.00000
     13      11.4590      0.00000
     14      11.9095      0.00000
     15      12.0503      0.00000
     16      12.6203      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.4140      1.00000
      2      -8.4845      1.00000
      3      -7.1284      1.00000
      4      -5.2924      1.00000
      5      -2.8463      1.00000
      6      -0.1342      1.00000
      7       3.0328      0.92280
      8       5.7914     -0.00000
      9       6.5923     -0.00000
     10       7.8719     -0.00000
     11       8.6201      0.00000
     12       8.9962      0.00000
     13       9.4132      0.00000
     14       9.8540      0.00000
     15      10.1924      0.00000
     16      10.7526      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0187      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1609      1.00000
      2      -7.2265      1.00000
      3      -5.8639      1.00000
      4      -4.0218      1.00000
      5      -1.5706      1.00000
      6       1.0856      1.00000
      7       3.8088     -0.00002
      8       4.6898     -0.00000
      9       5.4354     -0.00000
     10       6.5242     -0.00000
     11       7.0596     -0.00000
     12       7.6880     -0.00000
     13       8.1717     -0.00000
     14       8.9106      0.00000
     15       9.6265      0.00000
     16      10.0184      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4862      1.00000
      2      -5.5450      1.00000
      3      -4.1769      1.00000
      4      -2.3414      1.00000
      5       0.0040      1.00000
      6       1.0201      1.00000
      7       2.0094      1.00000
      8       2.9903      0.99612
      9       3.5389     -0.01028
     10       5.1825     -0.00000
     11       5.8829     -0.00000
     12       7.3165     -0.00000
     13       7.9852     -0.00000
     14       8.6339      0.00000
     15       9.0957      0.00000
     16       9.1472      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3866      1.00000
      2      -3.4422      1.00000
      3      -2.0926      1.00000
      4      -1.8741      1.00000
      5      -1.0027      1.00000
      6      -0.3602      1.00000
      7       0.6536      1.00000
      8       2.2761      1.00000
      9       2.6490      1.00102
     10       4.7268     -0.00000
     11       4.8901     -0.00000
     12       7.0239     -0.00000
     13       7.4860     -0.00000
     14       8.0195     -0.00000
     15       8.8673      0.00000
     16       9.6910      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0283      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0329      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3701      1.00000
      2      -7.4365      1.00000
      3      -6.0749      1.00000
      4      -4.2333      1.00000
      5      -1.7805      1.00000
      6       0.8932      1.00000
      7       3.9362     -0.00000
      8       6.0228     -0.00000
      9       6.5124     -0.00000
     10       7.2480     -0.00000
     11       7.3128     -0.00000
     12       7.5280     -0.00000
     13       7.5948     -0.00000
     14       8.3975     -0.00000
     15       8.7561      0.00000
     16      10.0306      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.9060      1.00000
      2      -5.9664      1.00000
      3      -4.5987      1.00000
      4      -2.7567      1.00000
      5      -0.3304      1.00000
      6       2.1607      1.00000
      7       3.1514      0.51310
      8       4.1374     -0.00000
      9       5.0934     -0.00000
     10       5.3773     -0.00000
     11       5.9177     -0.00000
     12       6.4986     -0.00000
     13       7.0130     -0.00000
     14       7.7623     -0.00000
     15       8.3868     -0.00000
     16       8.7485      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8215      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8169      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8214      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8253      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8240      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0183      1.00000
      2      -4.0733      1.00000
      3      -2.7078      1.00000
      4      -0.9143      1.00000
      5      -0.0337      1.00000
      6       0.7520      1.00000
      7       1.7076      1.00000
      8       2.6019      1.00032
      9       4.0725     -0.00000
     10       4.2571     -0.00000
     11       4.8809     -0.00000
     12       5.7543     -0.00000
     13       6.6257     -0.00000
     14       7.4044     -0.00000
     15       7.5043     -0.00000
     16       8.8377      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7193      1.00000
      2      -2.7015      1.00000
      3      -1.7849      1.00000
      4      -1.7654      1.00000
      5      -0.6558      1.00000
      6      -0.2701      1.00000
      7       1.2282      1.00000
      8       1.9599      1.00000
      9       3.7696     -0.00006
     10       3.8894     -0.00000
     11       4.7342     -0.00000
     12       5.7771     -0.00000
     13       6.3891     -0.00000
     14       6.7532     -0.00000
     15       7.1397     -0.00000
     16       8.6640      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6631      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6631      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2290      1.00000
      2      -4.2842      1.00000
      3      -2.9160      1.00000
      4      -1.0978      1.00000
      5       1.1412      1.00000
      6       2.1191      1.00000
      7       2.2842      1.00000
      8       3.0186      0.95348
      9       3.4807     -0.02180
     10       4.2437     -0.00000
     11       4.4916     -0.00000
     12       4.8684     -0.00000
     13       6.1992     -0.00000
     14       6.8377     -0.00000
     15       7.2266     -0.00000
     16       8.6631      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39441
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39442
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39443
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39443
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2188     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39442
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2188     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1302      1.00000
      2      -2.1891      1.00000
      3      -0.8551      1.00000
      4      -0.6281      1.00000
      5       0.2205      1.00000
      6       0.8234      1.00000
      7       1.7735      1.00000
      8       1.8436      1.00000
      9       2.5900      1.00024
     10       3.1809      0.39441
     11       4.1228     -0.00000
     12       4.6644     -0.00000
     13       6.0416     -0.00000
     14       6.1398     -0.00000
     15       6.3487     -0.00000
     16       8.2187     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8489      1.00000
      2      -0.8480      1.00000
      3      -0.8184      1.00000
      4       0.0103      1.00000
      5       0.1038      1.00000
      6       0.1063      1.00000
      7       1.1160      1.00000
      8       1.1197      1.00000
      9       1.8069      1.00000
     10       2.6710      1.00161
     11       4.0799     -0.00000
     12       4.0809     -0.00000
     13       5.9677     -0.00000
     14       5.9720     -0.00000
     15       6.0460     -0.00000
     16       8.0091     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.936 -61.921  -0.000  -0.148  -0.000   0.000  -0.011   0.000
-61.921  33.072   0.000   0.070  -0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.063  -0.000  -0.000  -0.320   0.000   0.000
 -0.148   0.070  -0.000   1.699   0.000   0.000  -0.260  -0.000
 -0.000  -0.000  -0.000   0.000   2.063   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.0574: real time    426.0899
    FORNL :  cpu time      0.4960: real time      0.5020
    FORCOR:  cpu time      1.9524: real time      1.9639
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.263E-06 -.256E-06 0.181E+03   0.450E-13 0.269E-13 -.180E+03   -.101E-06 -.200E-06 -.106E+01
   -.211E-05 -.133E-05 0.919E+02   -.199E-14 0.692E-14 -.918E+02   0.633E-06 0.171E-05 -.927E-01
   0.181E-05 0.391E-06 -.148E+00   -.142E-12 -.898E-13 0.139E+00   -.144E-05 -.104E-06 0.147E-01
   -.364E-05 -.644E-05 -.920E+02   0.137E-12 0.876E-13 0.919E+02   0.251E-05 0.872E-05 0.986E-01
   0.322E-05 0.535E-05 -.181E+03   -.471E-13 -.285E-13 0.180E+03   -.250E-05 -.526E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.936E-06 -.168E-05 0.611E-03   -.971E-14 0.313E-14 0.000E+00   -.896E-06 0.487E-05 -.116E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.021091
      0.00000      0.00000      2.37414        -0.000001      0.000000     -0.008534
      1.42873      0.82488      4.69521        -0.000001     -0.000001      0.007676
      2.85746      1.64976      7.01963        -0.000000      0.000002      0.010927
      0.00000      0.00000      9.39943         0.000001     -0.000000      0.011022
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000003     -0.011777


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90498349 eV

  energy  without entropy=      -13.89950393  energy(sigma->0) =      -13.90315697
 
 d Force = 0.3391042E-03[ 0.294E-03, 0.384E-03]  d Energy = 0.3542684E-03-0.152E-04
 d Force = 0.3331450E+01[ 0.333E+01, 0.334E+01]  d Ewald  = 0.3331450E+01-0.120E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9547: real time      1.9663


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.180E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  28.4817
 eigenvalue spectrum of G is 28.4817


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0753
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9531: real time      1.9649
    EDDIAG:  cpu time    590.7231: real time    595.7038
    CHARGE:  cpu time      0.2680: real time      0.2702
 writing wavefunctions
     LOOP+:  cpu time   8714.5216: real time   8788.0276


--------------------------------------- Iteration     69(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7296
    SETDIJ:  cpu time      1.2295: real time      1.2348
    TRIAL :  cpu time    592.3485: real time    597.4371
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    594.5846: real time    599.6879

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6272905E-02  (-0.2974930E-02)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0013573 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -691.26745208
  -exchange      EXHF   =        33.20833264
  -V(xc)+E(xc)   XCENC  =       -83.56761235
  PAW double counting   =    100660.82231205  -100559.86000333
  entropy T*S    EENTRO =        -0.00478826
  eigenvalues    EBANDS =       -34.36080002
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89870367 eV

  energy without entropy =      -13.89391541  energy(sigma->0) =      -13.89710758
  exchange ACFDT corr.  =        -0.00454811  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7293
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    590.9075: real time    595.9620
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    593.1355: real time    598.2037

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2354421E-02  (-0.2635151E-02)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0013508 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.70253102
  -exchange      EXHF   =        33.20464626
  -V(xc)+E(xc)   XCENC  =       -83.56889639
  PAW double counting   =    100643.52661964  -100542.56423832
  entropy T*S    EENTRO =        -0.00475917
  eigenvalues    EBANDS =       -34.92324433
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90105809 eV

  energy without entropy =      -13.89629892  energy(sigma->0) =      -13.89947170
  exchange ACFDT corr.  =        -0.00474391  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    590.4387: real time    595.5081
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    592.6660: real time    597.7490

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2017127E-02  (-0.1510953E-02)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013494 magnetization       0.0000006

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.41813951
  -exchange      EXHF   =        33.20144820
  -V(xc)+E(xc)   XCENC  =       -83.56998196
  PAW double counting   =    100633.58614589  -100532.62368120
  entropy T*S    EENTRO =        -0.00476087
  eigenvalues    EBANDS =       -35.20548180
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90307522 eV

  energy without entropy =      -13.89831434  energy(sigma->0) =      -13.90148826
  exchange ACFDT corr.  =        -0.00446135  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7213: real time      0.7276
    SETDIJ:  cpu time      1.2303: real time      1.2361
    TRIAL :  cpu time    589.4699: real time    594.5387
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    591.6949: real time    596.7779

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1129987E-02  (-0.7528006E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013536 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.50159291
  -exchange      EXHF   =        33.20022209
  -V(xc)+E(xc)   XCENC  =       -83.57038516
  PAW double counting   =    100637.86670464  -100536.90441827
  entropy T*S    EENTRO =        -0.00474626
  eigenvalues    EBANDS =       -35.12134905
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90420520 eV

  energy without entropy =      -13.89945895  energy(sigma->0) =      -13.90262312
  exchange ACFDT corr.  =        -0.00444663  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7284
    SETDIJ:  cpu time      1.2293: real time      1.2349
    TRIAL :  cpu time    591.1650: real time    596.1956
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.3898: real time    598.4348

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5436232E-03  (-0.3741091E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013544 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.60072197
  -exchange      EXHF   =        33.20019199
  -V(xc)+E(xc)   XCENC  =       -83.57040408
  PAW double counting   =    100651.28674937  -100550.32461076
  entropy T*S    EENTRO =        -0.00471111
  eigenvalues    EBANDS =       -35.02258146
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90474883 eV

  energy without entropy =      -13.90003771  energy(sigma->0) =      -13.90317846
  exchange ACFDT corr.  =        -0.00442957  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7282
    SETDIJ:  cpu time      1.2297: real time      1.2355
    TRIAL :  cpu time    591.4940: real time    596.5475
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    593.7197: real time    598.7875

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2711394E-03  (-0.1662291E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013494 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.58581966
  -exchange      EXHF   =        33.20046437
  -V(xc)+E(xc)   XCENC  =       -83.57032264
  PAW double counting   =    100673.93414973  -100572.97212915
  entropy T*S    EENTRO =        -0.00467852
  eigenvalues    EBANDS =       -35.03802584
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90501997 eV

  energy without entropy =      -13.90034144  energy(sigma->0) =      -13.90346046
  exchange ACFDT corr.  =        -0.00440721  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7285
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    591.1652: real time    596.2018
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.3914: real time    598.4418

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1233534E-03  (-0.9766660E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0013398 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.56686370
  -exchange      EXHF   =        33.20078345
  -V(xc)+E(xc)   XCENC  =       -83.57021444
  PAW double counting   =    100702.41967960  -100601.45772204
  entropy T*S    EENTRO =        -0.00466000
  eigenvalues    EBANDS =       -35.05750201
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90514332 eV

  energy without entropy =      -13.90048332  energy(sigma->0) =      -13.90358999
  exchange ACFDT corr.  =        -0.00438733  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7286
    SETDIJ:  cpu time      1.2313: real time      1.2366
    TRIAL :  cpu time    590.7863: real time    595.8517
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    593.0141: real time    598.0935

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7702304E-04  (-0.6670311E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0013282 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.60352066
  -exchange      EXHF   =        33.20105950
  -V(xc)+E(xc)   XCENC  =       -83.57011228
  PAW double counting   =    100732.86374886  -100631.90184278
  entropy T*S    EENTRO =        -0.00464698
  eigenvalues    EBANDS =       -35.02126732
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90522034 eV

  energy without entropy =      -13.90057337  energy(sigma->0) =      -13.90367135
  exchange ACFDT corr.  =        -0.00437370  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7291
    SETDIJ:  cpu time      1.2311: real time      1.2366
    TRIAL :  cpu time    591.3820: real time    596.4149
    CORREC:  cpu time      0.0034: real time      0.0035
    CHARGE:  cpu time      0.2703: real time      0.2728
    --------------------------------------------
      LOOP:  cpu time    593.6108: real time    598.6582

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5415655E-04  (-0.4155685E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0013155 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.63775747
  -exchange      EXHF   =        33.20112106
  -V(xc)+E(xc)   XCENC  =       -83.57008539
  PAW double counting   =    100761.22108738  -100660.25909618
  entropy T*S    EENTRO =        -0.00463062
  eigenvalues    EBANDS =       -34.98727127
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90527450 eV

  energy without entropy =      -13.90064388  energy(sigma->0) =      -13.90373096
  exchange ACFDT corr.  =        -0.00436221  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2307: real time      1.2360
    TRIAL :  cpu time    592.4205: real time    597.4875
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.6468: real time    599.7273

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3389914E-04  (-0.2440341E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0013032 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.62494568
  -exchange      EXHF   =        33.20095825
  -V(xc)+E(xc)   XCENC  =       -83.57013788
  PAW double counting   =    100787.20715727  -100686.24512489
  entropy T*S    EENTRO =        -0.00461315
  eigenvalues    EBANDS =       -34.99995918
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90530840 eV

  energy without entropy =      -13.90069525  energy(sigma->0) =      -13.90377068
  exchange ACFDT corr.  =        -0.00434933  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2308: real time      1.2361
    TRIAL :  cpu time    589.5705: real time    594.5695
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    591.7977: real time    596.8109

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1896219E-04  (-0.1215887E-04)
 number of electron      15.0000000 magnetization      -0.0000013
 augmentation part       -0.0012925 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.59473041
  -exchange      EXHF   =        33.20075645
  -V(xc)+E(xc)   XCENC  =       -83.57020338
  PAW double counting   =    100810.43267416  -100709.47063814
  entropy T*S    EENTRO =        -0.00459939
  eigenvalues    EBANDS =       -35.02994724
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90532736 eV

  energy without entropy =      -13.90072797  energy(sigma->0) =      -13.90379423
  exchange ACFDT corr.  =        -0.00433654  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     69(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7292
    SETDIJ:  cpu time      1.2332: real time      1.2385
    TRIAL :  cpu time    591.8768: real time    596.9047
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    590.1778: real time    595.1392
    CHARGE:  cpu time      0.2689: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time   1184.2842: real time   1194.2873

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9527386E-05  (-0.5978596E-05)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0012838 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       392.54999009
  -Hartree energ DENC   =      -690.58591577
  -exchange      EXHF   =        33.20065480
  -V(xc)+E(xc)   XCENC  =       -83.57022997
  PAW double counting   =    100830.68785868  -100729.72582075
  entropy T*S    EENTRO =        -0.00458918
  eigenvalues    EBANDS =       -35.03866410
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90533689 eV

  energy without entropy =      -13.90074771  energy(sigma->0) =      -13.90380716
  exchange ACFDT corr.  =        -0.00432619  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9623


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8951       2 -69.7839       3 -69.7865       4 -69.7886       5 -69.8974
 
 
 
 E-fermi :   3.1600     XC(G=0):  -5.1289     alpha+bet : -8.9779

 Fermi energy:         3.1599661121

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8591      1.00000
      2      -9.9417      1.00000
      3      -8.5965      1.00000
      4      -6.7744      1.00000
      5      -4.3665      1.00000
      6      -1.6042      1.00000
      7       1.5682      1.00000
      8       4.5776     -0.00000
      9       5.3993     -0.00000
     10       7.9188     -0.00000
     11       7.9593     -0.00000
     12      11.8818      0.00000
     13      12.1618      0.00000
     14      16.0905      0.00000
     15      16.0939      0.00000
     16      16.0999      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7559      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7561      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7605      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5698      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5699      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5703      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7975      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7973      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7971      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6166      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6164      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6167      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6255      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6580      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6580      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0243      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0371      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0452      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8166      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8193      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8180      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8276      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8300      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8377      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94003
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6544      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94003
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6545      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94003
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6546      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39536
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2125     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39538
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39537
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39537
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39538
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39537
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2125     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8322      1.00000
      2      -0.8306      1.00000
      3      -0.8004      1.00000
      4       0.0218      1.00000
      5       0.1120      1.00000
      6       0.1155      1.00000
      7       1.1223      1.00000
      8       1.1268      1.00000
      9       1.8118      1.00000
     10       2.6756      1.00165
     11       4.0809     -0.00000
     12       4.0826     -0.00000
     13       5.9573     -0.00000
     14       5.9632     -0.00000
     15       6.0319     -0.00000
     16       8.0071     -0.00000
 Fermi energy:         3.1599661121

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8591      1.00000
      2      -9.9417      1.00000
      3      -8.5965      1.00000
      4      -6.7744      1.00000
      5      -4.3665      1.00000
      6      -1.6042      1.00000
      7       1.5682      1.00000
      8       4.5776     -0.00000
      9       5.3993     -0.00000
     10       7.9188     -0.00000
     11       7.9593     -0.00000
     12      11.8818      0.00000
     13      12.1618      0.00000
     14      16.0905      0.00000
     15      16.0931      0.00000
     16      16.0999      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6505      1.00000
      2      -9.7325      1.00000
      3      -8.3863      1.00000
      4      -6.5625      1.00000
      5      -4.1504      1.00000
      6      -1.3940      1.00000
      7       1.7819      1.00000
      8       4.7608     -0.00000
      9       5.5737     -0.00000
     10       8.0869     -0.00000
     11       8.1248     -0.00000
     12      12.0143      0.00000
     13      12.2601      0.00000
     14      13.1486      0.00000
     15      13.8943      0.00000
     16      14.3550      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7569      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7560      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0247      1.00000
      2      -9.1047      1.00000
      3      -7.7552      1.00000
      4      -5.9266      1.00000
      5      -3.5033      1.00000
      6      -0.7643      1.00000
      7       2.4097      1.00000
      8       5.2945     -0.00000
      9       6.0919     -0.00000
     10       8.4719     -0.00000
     11       8.6090     -0.00000
     12       9.7497      0.00000
     13      10.3179      0.00000
     14      11.3992      0.00000
     15      12.4886      0.00000
     16      12.7556      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5699      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5702      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9811      1.00000
      2      -8.0572      1.00000
      3      -6.7022      1.00000
      4      -4.8666      1.00000
      5      -2.4306      1.00000
      6       0.2749      1.00000
      7       3.3746     -0.03184
      8       5.6538     -0.00000
      9       6.5284     -0.00000
     10       6.9022     -0.00000
     11       7.0405     -0.00000
     12       8.0883     -0.00000
     13       9.3909      0.00000
     14       9.5630      0.00000
     15       9.7906      0.00000
     16      11.5700      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7972      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7973      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5175      1.00000
      2      -6.5878      1.00000
      3      -5.2258      1.00000
      4      -3.3862      1.00000
      5      -0.9621      1.00000
      6       1.5754      1.00000
      7       2.5765      1.00016
      8       3.5704     -0.00653
      9       4.8224     -0.00000
     10       5.0983     -0.00000
     11       6.5127     -0.00000
     12       7.6062     -0.00000
     13       8.2020     -0.00000
     14       8.6868      0.00000
     15      10.5034      0.00000
     16      10.7970      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6300      1.00000
      2      -4.6938      1.00000
      3      -3.3309      1.00000
      4      -1.5293      1.00000
      5      -0.6328      1.00000
      6       0.1555      1.00000
      7       1.1135      1.00000
      8       2.0308      1.00000
      9       3.6400     -0.00175
     10       3.7312     -0.00019
     11       5.9075     -0.00000
     12       6.6703     -0.00000
     13       8.2225     -0.00000
     14       9.1581      0.00000
     15       9.7424      0.00000
     16      10.4345      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3281      1.00000
      2      -3.3103      1.00000
      3      -2.3909      1.00000
      4      -2.3874      1.00000
      5      -1.2638      1.00000
      6      -0.8778      1.00000
      7       0.6314      1.00000
      8       1.3682      1.00000
      9       3.3612     -0.02638
     10       3.4956     -0.01901
     11       5.6673     -0.00000
     12       6.0057     -0.00000
     13       8.3699     -0.00000
     14       8.8341      0.00000
     15      10.2669      0.00000
     16      10.5264      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6166      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6164      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2333      1.00000
      2      -9.3140      1.00000
      3      -7.9656      1.00000
      4      -6.1386      1.00000
      5      -3.7188      1.00000
      6      -0.9739      1.00000
      7       2.2030      1.00000
      8       5.1209     -0.00000
      9       5.9206     -0.00000
     10       8.4129     -0.00000
     11       8.4350     -0.00000
     12      11.4569      0.00000
     13      11.4739      0.00000
     14      11.9153      0.00000
     15      12.0547      0.00000
     16      12.6184      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3987      1.00000
      2      -8.4764      1.00000
      3      -7.1236      1.00000
      4      -5.2905      1.00000
      5      -2.8585      1.00000
      6      -0.1378      1.00000
      7       3.0122      0.96884
      8       5.7798     -0.00000
      9       6.5903     -0.00000
     10       7.8856     -0.00000
     11       8.6254      0.00000
     12       8.9951      0.00000
     13       9.4120      0.00000
     14       9.8579      0.00000
     15      10.2030      0.00000
     16      10.7613      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0089      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1453      1.00000
      2      -7.2182      1.00000
      3      -5.8589      1.00000
      4      -4.0195      1.00000
      5      -1.5822      1.00000
      6       1.0829      1.00000
      7       3.8078     -0.00002
      8       4.6923     -0.00000
      9       5.4396     -0.00000
     10       6.5284     -0.00000
     11       7.0508     -0.00000
     12       7.6857     -0.00000
     13       8.1751     -0.00000
     14       8.9241      0.00000
     15       9.6317      0.00000
     16      10.0087      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4701      1.00000
      2      -5.5364      1.00000
      3      -4.1716      1.00000
      4      -2.3385      1.00000
      5      -0.0045      1.00000
      6       1.0361      1.00000
      7       2.0171      1.00000
      8       2.9897      1.00050
      9       3.5433     -0.01013
     10       5.1856     -0.00000
     11       5.8670     -0.00000
     12       7.3097     -0.00000
     13       7.9890     -0.00000
     14       8.6307      0.00000
     15       9.0933      0.00000
     16       9.1514      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3698      1.00000
      2      -3.4331      1.00000
      3      -2.0867      1.00000
      4      -1.8566      1.00000
      5      -0.9934      1.00000
      6      -0.3559      1.00000
      7       0.6579      1.00000
      8       2.2734      1.00000
      9       2.6442      1.00085
     10       4.7185     -0.00000
     11       4.8863     -0.00000
     12       7.0245     -0.00000
     13       7.4831     -0.00000
     14       8.0205     -0.00000
     15       8.8694      0.00000
     16       9.6853      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0242      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0302      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3545      1.00000
      2      -7.4282      1.00000
      3      -6.0700      1.00000
      4      -4.2311      1.00000
      5      -1.7922      1.00000
      6       0.8903      1.00000
      7       3.9200     -0.00000
      8       6.0288     -0.00000
      9       6.5256     -0.00000
     10       7.2539     -0.00000
     11       7.3159     -0.00000
     12       7.5341     -0.00000
     13       7.5930     -0.00000
     14       8.4028     -0.00000
     15       8.7607      0.00000
     16      10.0271      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8900      1.00000
      2      -5.9578      1.00000
      3      -4.5935      1.00000
      4      -2.7540      1.00000
      5      -0.3412      1.00000
      6       2.1616      1.00000
      7       3.1661      0.46568
      8       4.1453     -0.00000
      9       5.0974     -0.00000
     10       5.3831     -0.00000
     11       5.9188     -0.00000
     12       6.5007     -0.00000
     13       7.0157     -0.00000
     14       7.7631     -0.00000
     15       8.3784     -0.00000
     16       8.7462      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8173      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8152      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8194      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8219      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8231      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -5.0017      1.00000
      2      -4.0644      1.00000
      3      -2.7022      1.00000
      4      -0.9107      1.00000
      5      -0.0163      1.00000
      6       0.7575      1.00000
      7       1.7052      1.00000
      8       2.6041      1.00032
      9       4.0756     -0.00000
     10       4.2584     -0.00000
     11       4.8937     -0.00000
     12       5.7589     -0.00000
     13       6.6220     -0.00000
     14       7.4031     -0.00000
     15       7.4890     -0.00000
     16       8.8322      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.7022      1.00000
      2      -2.6840      1.00000
      3      -1.7750      1.00000
      4      -1.7566      1.00000
      5      -0.6494      1.00000
      6      -0.2646      1.00000
      7       1.2324      1.00000
      8       1.9618      1.00000
      9       3.7632     -0.00008
     10       3.8847     -0.00000
     11       4.7433     -0.00000
     12       5.7819     -0.00000
     13       6.3888     -0.00000
     14       6.7502     -0.00000
     15       7.1435     -0.00000
     16       8.6654      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94003
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6545      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94004
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6544      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2126      1.00000
      2      -4.2754      1.00000
      3      -2.9104      1.00000
      4      -1.0944      1.00000
      5       1.1345      1.00000
      6       2.1350      1.00000
      7       2.3007      1.00000
      8       3.0290      0.94003
      9       3.4875     -0.02099
     10       4.2471     -0.00000
     11       4.4931     -0.00000
     12       4.8725     -0.00000
     13       6.2024     -0.00000
     14       6.8384     -0.00000
     15       7.2090     -0.00000
     16       8.6545      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39538
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39538
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39540
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39540
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2127     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39539
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1132      1.00000
      2      -2.1798      1.00000
      3      -0.8489      1.00000
      4      -0.6108      1.00000
      5       0.2301      1.00000
      6       0.8282      1.00000
      7       1.7872      1.00000
      8       1.8516      1.00000
      9       2.5968      1.00026
     10       3.1840      0.39538
     11       4.1183     -0.00000
     12       4.6655     -0.00000
     13       6.0384     -0.00000
     14       6.1385     -0.00000
     15       6.3424     -0.00000
     16       8.2126     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8322      1.00000
      2      -0.8306      1.00000
      3      -0.8004      1.00000
      4       0.0218      1.00000
      5       0.1120      1.00000
      6       0.1155      1.00000
      7       1.1223      1.00000
      8       1.1268      1.00000
      9       1.8118      1.00000
     10       2.6756      1.00165
     11       4.0809     -0.00000
     12       4.0826     -0.00000
     13       5.9574     -0.00000
     14       5.9632     -0.00000
     15       6.0319     -0.00000
     16       8.0075     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000  -0.000  -0.010  -0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.929 -61.917  -0.000  -0.146  -0.000   0.000  -0.011   0.000
-61.917  33.070   0.000   0.069   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.063  -0.000  -0.000  -0.320   0.000   0.000
 -0.146   0.069  -0.000   1.700   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.063   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.008   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.3534: real time    426.4106
    FORNL :  cpu time      0.4983: real time      0.5042
    FORCOR:  cpu time      1.9508: real time      1.9621
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.200E-06 -.108E-05 0.181E+03   0.428E-13 0.253E-13 -.180E+03   0.117E-06 0.589E-06 -.106E+01
   -.203E-05 -.668E-06 0.915E+02   -.193E-14 0.217E-14 -.914E+02   0.508E-06 0.125E-05 -.846E-01
   0.140E-05 0.576E-06 -.194E+00   -.135E-12 -.791E-13 0.184E+00   -.986E-06 -.460E-06 0.174E-01
   -.467E-05 -.728E-05 -.917E+02   0.125E-12 0.808E-13 0.916E+02   0.378E-05 0.991E-05 0.984E-01
   0.326E-05 0.702E-05 -.180E+03   -.401E-13 -.260E-13 0.179E+03   -.241E-05 -.714E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.201E-05 -.162E-05 0.230E-02   -.971E-14 0.313E-14 -.568E-13   0.101E-05 0.414E-05 -.134E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.020450
      0.00000      0.00000      2.37523        -0.000001      0.000000     -0.004133
      1.42873      0.82488      4.70151        -0.000000     -0.000001      0.009409
      2.85746      1.64976      7.03182        -0.000001      0.000002      0.010296
      0.00000      0.00000      9.41520         0.000001     -0.000000      0.004879
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000003     -0.012020


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90533689 eV

  energy  without entropy=      -13.90074771  energy(sigma->0) =      -13.90380716
 
 d Force = 0.3015605E-03[ 0.257E-03, 0.346E-03]  d Energy = 0.3534008E-03-0.518E-04
 d Force = 0.3849641E+01[ 0.384E+01, 0.386E+01]  d Ewald  = 0.3849642E+01-0.186E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9533: real time      1.9648


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.114E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  30.4415
 eigenvalue spectrum of G is 30.4415


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0769
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0849: real time      0.0852
    POTLOK:  cpu time      1.9518: real time      1.9641
    EDDIAG:  cpu time    590.1132: real time    595.0927
    CHARGE:  cpu time      0.2700: real time      0.2723
 writing wavefunctions
     LOOP+:  cpu time   8731.0594: real time   8805.1341


--------------------------------------- Iteration     70(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7245: real time      0.7306
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    589.1259: real time    594.1383
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    591.3651: real time    596.3922

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2653758E-02  (-0.1240715E-02)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0013801 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.56774838
  -exchange      EXHF   =        33.19249882
  -V(xc)+E(xc)   XCENC  =       -83.57281291
  PAW double counting   =    100736.64805900  -100635.68513660
  entropy T*S    EENTRO =        -0.00414602
  eigenvalues    EBANDS =       -34.55194605
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90267360 eV

  energy without entropy =      -13.89852758  energy(sigma->0) =      -13.90129160
  exchange ACFDT corr.  =        -0.00407186  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2318: real time      1.2372
    TRIAL :  cpu time    592.1243: real time    597.1592
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    594.3526: real time    599.4014

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1002252E-02  (-0.1121824E-02)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013765 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.20660620
  -exchange      EXHF   =        33.19017563
  -V(xc)+E(xc)   XCENC  =       -83.57362144
  PAW double counting   =    100730.55807150  -100629.59511411
  entropy T*S    EENTRO =        -0.00413402
  eigenvalues    EBANDS =       -34.91103004
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90367585 eV

  energy without entropy =      -13.89954184  energy(sigma->0) =      -13.90229785
  exchange ACFDT corr.  =        -0.00417890  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2301: real time      1.2355
    TRIAL :  cpu time    591.7284: real time    596.7175
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.9546: real time    598.9575

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8700481E-03  (-0.6639748E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013765 magnetization       0.0000005

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.02735944
  -exchange      EXHF   =        33.18815146
  -V(xc)+E(xc)   XCENC  =       -83.57430823
  PAW double counting   =    100729.87255562  -100628.90965471
  entropy T*S    EENTRO =        -0.00414053
  eigenvalues    EBANDS =       -35.08839140
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90454590 eV

  energy without entropy =      -13.90040537  energy(sigma->0) =      -13.90316573
  exchange ACFDT corr.  =        -0.00403150  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7295
    SETDIJ:  cpu time      1.2295: real time      1.2349
    TRIAL :  cpu time    592.2747: real time    597.2839
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    594.5008: real time    599.5238

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4971879E-03  (-0.3229550E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013783 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.08338757
  -exchange      EXHF   =        33.18736225
  -V(xc)+E(xc)   XCENC  =       -83.57456755
  PAW double counting   =    100736.45192988  -100635.48902435
  entropy T*S    EENTRO =        -0.00413539
  eigenvalues    EBANDS =       -35.03181004
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90504309 eV

  energy without entropy =      -13.90090770  energy(sigma->0) =      -13.90366463
  exchange ACFDT corr.  =        -0.00402443  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7289
    SETDIJ:  cpu time      1.2306: real time      1.2361
    TRIAL :  cpu time    588.7535: real time    593.7460
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    590.9812: real time    595.9874

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2345369E-03  (-0.1564552E-03)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013777 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.14722896
  -exchange      EXHF   =        33.18733230
  -V(xc)+E(xc)   XCENC  =       -83.57457751
  PAW double counting   =    100749.66542172  -100648.70262576
  entropy T*S    EENTRO =        -0.00411597
  eigenvalues    EBANDS =       -34.96805885
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90527763 eV

  energy without entropy =      -13.90116166  energy(sigma->0) =      -13.90390564
  exchange ACFDT corr.  =        -0.00401600  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7286
    SETDIJ:  cpu time      1.2303: real time      1.2356
    TRIAL :  cpu time    593.0068: real time    598.0344
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    595.2336: real time    600.2750

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1140609E-03  (-0.7121220E-04)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013737 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.13603021
  -exchange      EXHF   =        33.18749705
  -V(xc)+E(xc)   XCENC  =       -83.57452689
  PAW double counting   =    100767.45963513  -100666.49696416
  entropy T*S    EENTRO =        -0.00409791
  eigenvalues    EBANDS =       -34.97948146
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90539169 eV

  energy without entropy =      -13.90129377  energy(sigma->0) =      -13.90402572
  exchange ACFDT corr.  =        -0.00400402  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7286
    SETDIJ:  cpu time      1.2287: real time      1.2341
    TRIAL :  cpu time    588.4246: real time    593.3877
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    590.6499: real time    595.6270

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5327420E-04  (-0.4223793E-04)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013671 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.12228209
  -exchange      EXHF   =        33.18769314
  -V(xc)+E(xc)   XCENC  =       -83.57445959
  PAW double counting   =    100787.27922998  -100686.31656569
  entropy T*S    EENTRO =        -0.00408879
  eigenvalues    EBANDS =       -34.99355763
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90544496 eV

  energy without entropy =      -13.90135617  energy(sigma->0) =      -13.90408203
  exchange ACFDT corr.  =        -0.00399394  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    589.7185: real time    594.7174
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2697: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    591.9462: real time    596.9589

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3386787E-04  (-0.2897724E-04)
 number of electron      15.0000000 magnetization      -0.0000012
 augmentation part       -0.0013589 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.14510223
  -exchange      EXHF   =        33.18786381
  -V(xc)+E(xc)   XCENC  =       -83.57439743
  PAW double counting   =    100807.31209923  -100706.34941431
  entropy T*S    EENTRO =        -0.00408308
  eigenvalues    EBANDS =       -34.97103392
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90547883 eV

  energy without entropy =      -13.90139575  energy(sigma->0) =      -13.90411780
  exchange ACFDT corr.  =        -0.00398724  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7286
    SETDIJ:  cpu time      1.2319: real time      1.2374
    TRIAL :  cpu time    589.8850: real time    594.8886
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.1134: real time    597.1308

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2357681E-04  (-0.1801993E-04)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0013503 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.16701420
  -exchange      EXHF   =        33.18790184
  -V(xc)+E(xc)   XCENC  =       -83.57438151
  PAW double counting   =    100826.32208308  -100725.35940658
  entropy T*S    EENTRO =        -0.00407510
  eigenvalues    EBANDS =       -34.94919678
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90550241 eV

  energy without entropy =      -13.90142731  energy(sigma->0) =      -13.90414404
  exchange ACFDT corr.  =        -0.00398184  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    592.7588: real time    597.7690
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    594.9858: real time    600.0098

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1470967E-04  (-0.1039793E-04)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0013422 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.15902549
  -exchange      EXHF   =        33.18780124
  -V(xc)+E(xc)   XCENC  =       -83.57441469
  PAW double counting   =    100843.34104551  -100742.37834082
  entropy T*S    EENTRO =        -0.00406613
  eigenvalues    EBANDS =       -34.95710260
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90551712 eV

  energy without entropy =      -13.90145099  energy(sigma->0) =      -13.90416174
  exchange ACFDT corr.  =        -0.00397573  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     70(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2306: real time      1.2360
    TRIAL :  cpu time    587.9087: real time    592.8928
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    591.8574: real time    596.8148
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time   1181.9942: real time   1191.9495

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8134026E-05  (-0.5161217E-05)
 number of electron      15.0000000 magnetization      -0.0000011
 augmentation part       -0.0013351 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       390.05721058
  -Hartree energ DENC   =      -688.13990570
  -exchange      EXHF   =        33.18761925
  -V(xc)+E(xc)   XCENC  =       -83.57445499
  PAW double counting   =    100858.37315340  -100757.41043102
  entropy T*S    EENTRO =        -0.00405922
  eigenvalues    EBANDS =       -34.97609291
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90552525 eV

  energy without entropy =      -13.90146603  energy(sigma->0) =      -13.90417218
  exchange ACFDT corr.  =        -0.00396955  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0044


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8948       2 -69.7850       3 -69.7886       4 -69.7878       5 -69.8951
 
 
 
 E-fermi :   3.1629     XC(G=0):  -5.1306     alpha+bet : -8.9779

 Fermi energy:         3.1628796632

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8478      1.00000
      2      -9.9360      1.00000
      3      -8.5929      1.00000
      4      -6.7721      1.00000
      5      -4.3736      1.00000
      6      -1.6059      1.00000
      7       1.5548      1.00000
      8       4.5693     -0.00000
      9       5.3959     -0.00000
     10       7.9168     -0.00000
     11       7.9532     -0.00000
     12      11.8795      0.00000
     13      12.1574      0.00000
     14      16.1021      0.00000
     15      16.1051      0.00000
     16      16.1106      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4854      0.00000
     16      12.7563      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4854      0.00000
     16      12.7565      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4855      0.00000
     16      12.7604      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5658      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5659      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5662      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7935      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7934      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7930      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02146
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02146
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02146
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0574      0.00000
     16      12.6155      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0573      0.00000
     16      12.6154      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0574      0.00000
     16      12.6157      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0027      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0216      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0354      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0450      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8164      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8189      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8183      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8247      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8301      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8360      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7505      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2361      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7505      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2362      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7505      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2361      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93259
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6495      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93259
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6496      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93258
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6496      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39810
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2090     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39812
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39811
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39811
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39812
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39811
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2090     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8200      1.00000
      2      -0.8177      1.00000
      3      -0.7872      1.00000
      4       0.0300      1.00000
      5       0.1176      1.00000
      6       0.1217      1.00000
      7       1.1271      1.00000
      8       1.1319      1.00000
      9       1.8155      1.00000
     10       2.6796      1.00167
     11       4.0830     -0.00000
     12       4.0846     -0.00000
     13       5.9517     -0.00000
     14       5.9579     -0.00000
     15       6.0237     -0.00000
     16       8.0069     -0.00000
 Fermi energy:         3.1628796632

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8478      1.00000
      2      -9.9360      1.00000
      3      -8.5929      1.00000
      4      -6.7721      1.00000
      5      -4.3736      1.00000
      6      -1.6059      1.00000
      7       1.5548      1.00000
      8       4.5693     -0.00000
      9       5.3959     -0.00000
     10       7.9168     -0.00000
     11       7.9532     -0.00000
     12      11.8795      0.00000
     13      12.1574      0.00000
     14      16.1021      0.00000
     15      16.1044      0.00000
     16      16.1106      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6392      1.00000
      2      -9.7268      1.00000
      3      -8.3827      1.00000
      4      -6.5601      1.00000
      5      -4.1575      1.00000
      6      -1.3957      1.00000
      7       1.7685      1.00000
      8       4.7526     -0.00000
      9       5.5703     -0.00000
     10       8.0850     -0.00000
     11       8.1187     -0.00000
     12      12.0127      0.00000
     13      12.2565      0.00000
     14      13.1583      0.00000
     15      13.8996      0.00000
     16      14.3663      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4854      0.00000
     16      12.7571      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4854      0.00000
     16      12.7564      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0133      1.00000
      2      -9.0989      1.00000
      3      -7.7515      1.00000
      4      -5.9241      1.00000
      5      -3.5104      1.00000
      6      -0.7658      1.00000
      7       2.3967      1.00000
      8       5.2866     -0.00000
      9       6.0887     -0.00000
     10       8.4706     -0.00000
     11       8.6054     -0.00000
     12       9.7580      0.00000
     13      10.3241      0.00000
     14      11.4025      0.00000
     15      12.4854      0.00000
     16      12.7560      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5658      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5661      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9695      1.00000
      2      -8.0514      1.00000
      3      -6.6985      1.00000
      4      -4.8640      1.00000
      5      -2.4374      1.00000
      6       0.2737      1.00000
      7       3.3637     -0.02625
      8       5.6579     -0.00000
      9       6.5281     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5614      0.00000
     15       9.7889      0.00000
     16      11.5659      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7932      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7932      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5057      1.00000
      2      -6.5818      1.00000
      3      -5.2219      1.00000
      4      -3.3833      1.00000
      5      -0.9684      1.00000
      6       1.5766      1.00000
      7       2.5873      1.00019
      8       3.5759     -0.00634
      9       4.8243     -0.00000
     10       5.0896     -0.00000
     11       6.5159     -0.00000
     12       7.5992     -0.00000
     13       8.1987     -0.00000
     14       8.6812      0.00000
     15      10.5011      0.00000
     16      10.7929      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6178      1.00000
      2      -4.6876      1.00000
      3      -3.3267      1.00000
      4      -1.5259      1.00000
      5      -0.6200      1.00000
      6       0.1595      1.00000
      7       1.1123      1.00000
      8       2.0324      1.00000
      9       3.6423     -0.00179
     10       3.7309     -0.00022
     11       5.9018     -0.00000
     12       6.6598     -0.00000
     13       8.2207     -0.00000
     14       9.1523      0.00000
     15       9.7395      0.00000
     16      10.4462      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02146
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02147
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3156      1.00000
      2      -3.2975      1.00000
      3      -2.3848      1.00000
      4      -2.3804      1.00000
      5      -1.2591      1.00000
      6      -0.8737      1.00000
      7       0.6351      1.00000
      8       1.3705      1.00000
      9       3.3557     -0.02149
     10       3.4885     -0.02147
     11       5.6675     -0.00000
     12       6.0040     -0.00000
     13       8.3593     -0.00000
     14       8.8273      0.00000
     15      10.2786      0.00000
     16      10.5259      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0574      0.00000
     16      12.6156      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0573      0.00000
     16      12.6153      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2220      1.00000
      2      -9.3082      1.00000
      3      -7.9620      1.00000
      4      -6.1361      1.00000
      5      -3.7259      1.00000
      6      -0.9756      1.00000
      7       2.1899      1.00000
      8       5.1128     -0.00000
      9       5.9173     -0.00000
     10       8.4113     -0.00000
     11       8.4294     -0.00000
     12      11.4682      0.00000
     13      11.4848      0.00000
     14      11.9196      0.00000
     15      12.0573      0.00000
     16      12.6171      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3872      1.00000
      2      -8.4706      1.00000
      3      -7.1199      1.00000
      4      -5.2880      1.00000
      5      -2.8654      1.00000
      6      -0.1392      1.00000
      7       3.0000      0.99180
      8       5.7728     -0.00000
      9       6.5874     -0.00000
     10       7.8955     -0.00000
     11       8.6294      0.00000
     12       8.9942      0.00000
     13       9.4112      0.00000
     14       9.8610      0.00000
     15      10.2112      0.00000
     16      10.7675      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0027      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0028      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1336      1.00000
      2      -7.2122      1.00000
      3      -5.8551      1.00000
      4      -4.0167      1.00000
      5      -1.5888      1.00000
      6       1.0821      1.00000
      7       3.8081     -0.00002
      8       4.6952     -0.00000
      9       5.4430     -0.00000
     10       6.5317     -0.00000
     11       7.0456     -0.00000
     12       7.6827     -0.00000
     13       8.1785     -0.00000
     14       8.9340      0.00000
     15       9.6357      0.00000
     16      10.0026      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4581      1.00000
      2      -5.5302      1.00000
      3      -4.1675      1.00000
      4      -2.3353      1.00000
      5      -0.0090      1.00000
      6       1.0479      1.00000
      7       2.0226      1.00000
      8       2.9900      1.00394
      9       3.5468     -0.01016
     10       5.1887     -0.00000
     11       5.8576     -0.00000
     12       7.3062     -0.00000
     13       7.9922     -0.00000
     14       8.6294      0.00000
     15       9.0902      0.00000
     16       9.1547      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3573      1.00000
      2      -3.4268      1.00000
      3      -2.0824      1.00000
      4      -1.8437      1.00000
      5      -0.9867      1.00000
      6      -0.3521      1.00000
      7       0.6614      1.00000
      8       2.2724      1.00000
      9       2.6422      1.00074
     10       4.7137     -0.00000
     11       4.8848     -0.00000
     12       7.0258     -0.00000
     13       7.4818     -0.00000
     14       8.0223     -0.00000
     15       8.8714      0.00000
     16       9.6817      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0214      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0282      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3429      1.00000
      2      -7.4222      1.00000
      3      -6.0661      1.00000
      4      -4.2283      1.00000
      5      -1.7989      1.00000
      6       0.8893      1.00000
      7       3.9106     -0.00000
      8       6.0335     -0.00000
      9       6.5351     -0.00000
     10       7.2582     -0.00000
     11       7.3193     -0.00000
     12       7.5382     -0.00000
     13       7.5905     -0.00000
     14       8.4067     -0.00000
     15       8.7643      0.00000
     16      10.0245      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8781      1.00000
      2      -5.9517      1.00000
      3      -4.5895      1.00000
      4      -2.7510      1.00000
      5      -0.3473      1.00000
      6       2.1630      1.00000
      7       3.1769      0.43680
      8       4.1509     -0.00000
      9       5.1009     -0.00000
     10       5.3875     -0.00000
     11       5.9205     -0.00000
     12       6.5029     -0.00000
     13       7.0185     -0.00000
     14       7.7643     -0.00000
     15       8.3736     -0.00000
     16       8.7431      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8155      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8151      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8190      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8206      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8233      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9895      1.00000
      2      -4.0581      1.00000
      3      -2.6980      1.00000
      4      -0.9071      1.00000
      5      -0.0035      1.00000
      6       0.7615      1.00000
      7       1.7043      1.00000
      8       2.6062      1.00030
      9       4.0783     -0.00000
     10       4.2605     -0.00000
     11       4.9032     -0.00000
     12       5.7623     -0.00000
     13       6.6200     -0.00000
     14       7.4022     -0.00000
     15       7.4805     -0.00000
     16       8.8293      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7506      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2361      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7506      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2361      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6896      1.00000
      2      -2.6712      1.00000
      3      -1.7679      1.00000
      4      -1.7505      1.00000
      5      -0.6446      1.00000
      6      -0.2604      1.00000
      7       1.2361      1.00000
      8       1.9641      1.00000
      9       3.7597     -0.00010
     10       3.8827     -0.00000
     11       4.7506     -0.00000
     12       5.7856     -0.00000
     13       6.3893     -0.00000
     14       6.7489     -0.00000
     15       7.1466     -0.00000
     16       8.6673      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93259
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6496      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93259
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6495      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2003      1.00000
      2      -4.2691      1.00000
      3      -2.9063      1.00000
      4      -1.0910      1.00000
      5       1.1310      1.00000
      6       2.1467      1.00000
      7       2.3127      1.00000
      8       3.0363      0.93259
      9       3.4922     -0.02074
     10       4.2498     -0.00000
     11       4.4950     -0.00000
     12       4.8758     -0.00000
     13       6.2055     -0.00000
     14       6.8398     -0.00000
     15       7.1985     -0.00000
     16       8.6495      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39812
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39812
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39813
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39813
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2093     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39813
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2092     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1006      1.00000
      2      -2.1733      1.00000
      3      -0.8444      1.00000
      4      -0.5981      1.00000
      5       0.2369      1.00000
      6       0.8322      1.00000
      7       1.7968      1.00000
      8       1.8583      1.00000
      9       2.6016      1.00027
     10       3.1867      0.39812
     11       4.1163     -0.00000
     12       4.6669     -0.00000
     13       6.0367     -0.00000
     14       6.1386     -0.00000
     15       6.3395     -0.00000
     16       8.2091     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8200      1.00000
      2      -0.8177      1.00000
      3      -0.7872      1.00000
      4       0.0300      1.00000
      5       0.1176      1.00000
      6       0.1217      1.00000
      7       1.1271      1.00000
      8       1.1319      1.00000
      9       1.8155      1.00000
     10       2.6796      1.00167
     11       4.0830     -0.00000
     12       4.0846     -0.00000
     13       5.9517     -0.00000
     14       5.9579     -0.00000
     15       6.0237     -0.00000
     16       8.0073     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000  -0.000  -0.010  -0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.930 -61.918  -0.000  -0.146  -0.000   0.000  -0.011   0.000
-61.918  33.070   0.000   0.069   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.146   0.069  -0.000   1.699   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.008   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.3518: real time    426.3816
    FORNL :  cpu time      0.5019: real time      0.5079
    FORCOR:  cpu time      1.9520: real time      1.9634
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.180E-06 -.129E-05 0.180E+03   0.406E-13 0.252E-13 -.179E+03   0.664E-06 0.939E-06 -.106E+01
   -.203E-05 -.938E-07 0.913E+02   0.351E-14 0.749E-14 -.912E+02   0.678E-06 0.490E-06 -.751E-01
   0.123E-05 0.595E-06 -.205E+00   -.135E-12 -.833E-13 0.195E+00   -.944E-06 -.362E-06 0.179E-01
   -.495E-05 -.584E-05 -.915E+02   0.124E-12 0.767E-13 0.914E+02   0.415E-05 0.753E-05 0.978E-01
   0.440E-05 0.611E-05 -.180E+03   -.429E-13 -.229E-13 0.179E+03   -.376E-05 -.604E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.199E-05 -.812E-06 0.361E-03   -.971E-14 0.313E-14 0.000E+00   0.798E-06 0.255E-05 -.548E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.022037
      0.00000      0.00000      2.37586        -0.000001      0.000000     -0.000562
      1.42873      0.82488      4.70600        -0.000000     -0.000000      0.008136
      2.85746      1.64976      7.04003        -0.000001      0.000001      0.011445
      0.00000      0.00000      9.42524         0.000001     -0.000000      0.003019
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000002     -0.005679


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90552525 eV

  energy  without entropy=      -13.90146603  energy(sigma->0) =      -13.90417218
 
 d Force = 0.1668177E-03[ 0.160E-03, 0.173E-03]  d Energy = 0.1883624E-03-0.215E-04
 d Force = 0.2492779E+01[ 0.249E+01, 0.250E+01]  d Ewald  = 0.2492780E+01-0.543E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9535: real time      1.9651


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.997E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  13.7862
 eigenvalue spectrum of G is 13.7862


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0799
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9527: real time      1.9652
    EDDIAG:  cpu time    590.9928: real time    595.9347
    CHARGE:  cpu time      0.2684: real time      0.2706
 writing wavefunctions
     LOOP+:  cpu time   8134.0810: real time   8202.4270


--------------------------------------- Iteration     71(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7258: real time      0.7319
    SETDIJ:  cpu time      1.2311: real time      1.2365
    TRIAL :  cpu time    592.0230: real time    597.0348
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.2630: real time    599.2894

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1935726E-03  (-0.1287719E-03)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0013515 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.64016499
  -exchange      EXHF   =        33.18567445
  -V(xc)+E(xc)   XCENC  =       -83.57506032
  PAW double counting   =    100855.55313615  -100754.59022945
  entropy T*S    EENTRO =        -0.00390970
  eigenvalues    EBANDS =       -34.77343065
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90532354 eV

  energy without entropy =      -13.90141384  energy(sigma->0) =      -13.90402031
  exchange ACFDT corr.  =        -0.00389142  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2296: real time      1.2350
    TRIAL :  cpu time    591.0208: real time    595.9978
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.2464: real time    598.2372

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9055180E-04  (-0.9509506E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0013504 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.45043759
  -exchange      EXHF   =        33.18482959
  -V(xc)+E(xc)   XCENC  =       -83.57536267
  PAW double counting   =    100855.30592061  -100754.34300295
  entropy T*S    EENTRO =        -0.00390328
  eigenvalues    EBANDS =       -34.96213449
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90541410 eV

  energy without entropy =      -13.90151082  energy(sigma->0) =      -13.90411300
  exchange ACFDT corr.  =        -0.00399658  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2303: real time      1.2358
    TRIAL :  cpu time    588.6962: real time    593.7079
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2702: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    590.9232: real time    595.9486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7285301E-04  (-0.6643375E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0013492 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.38105776
  -exchange      EXHF   =        33.18422361
  -V(xc)+E(xc)   XCENC  =       -83.57557013
  PAW double counting   =    100858.29245721  -100757.32949452
  entropy T*S    EENTRO =        -0.00391056
  eigenvalues    EBANDS =       -35.03082518
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90548695 eV

  energy without entropy =      -13.90157639  energy(sigma->0) =      -13.90418343
  exchange ACFDT corr.  =        -0.00387559  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2309: real time      1.2362
    TRIAL :  cpu time    592.6534: real time    597.6652
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.8806: real time    599.9060

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4866051E-04  (-0.2981376E-04)
 number of electron      15.0000000 magnetization      -0.0000009
 augmentation part       -0.0013483 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.43944484
  -exchange      EXHF   =        33.18408700
  -V(xc)+E(xc)   XCENC  =       -83.57561042
  PAW double counting   =    100864.91468465  -100763.95176067
  entropy T*S    EENTRO =        -0.00391208
  eigenvalues    EBANDS =       -34.97226387
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90553561 eV

  energy without entropy =      -13.90162353  energy(sigma->0) =      -13.90423158
  exchange ACFDT corr.  =        -0.00387542  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7285
    SETDIJ:  cpu time      1.2303: real time      1.2356
    TRIAL :  cpu time    590.7498: real time    595.8229
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    592.9764: real time    598.0634

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2076307E-04  (-0.1616799E-04)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0013468 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.47753001
  -exchange      EXHF   =        33.18411135
  -V(xc)+E(xc)   XCENC  =       -83.57559960
  PAW double counting   =    100872.54084099  -100771.57793799
  entropy T*S    EENTRO =        -0.00390474
  eigenvalues    EBANDS =       -34.93421214
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90555637 eV

  energy without entropy =      -13.90165163  energy(sigma->0) =      -13.90425479
  exchange ACFDT corr.  =        -0.00387396  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7287
    SETDIJ:  cpu time      1.2309: real time      1.2361
    TRIAL :  cpu time    586.0686: real time    591.0211
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    588.2951: real time    593.2614

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1185601E-04  (-0.7288151E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0013443 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.45626306
  -exchange      EXHF   =        33.18410455
  -V(xc)+E(xc)   XCENC  =       -83.57560385
  PAW double counting   =    100880.23542789  -100779.27255719
  entropy T*S    EENTRO =        -0.00389795
  eigenvalues    EBANDS =       -34.95545493
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90556823 eV

  energy without entropy =      -13.90167028  energy(sigma->0) =      -13.90426891
  exchange ACFDT corr.  =        -0.00386991  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     71(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7277
    SETDIJ:  cpu time      1.2314: real time      1.2367
    TRIAL :  cpu time    591.0653: real time    596.0544
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.6327: real time    596.6408
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time   1184.9249: real time   1194.9357

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5292430E-05  (-0.4504687E-05)
 number of electron      15.0000000 magnetization      -0.0000008
 augmentation part       -0.0013412 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       389.35729886
  -Hartree energ DENC   =      -687.43629891
  -exchange      EXHF   =        33.18417162
  -V(xc)+E(xc)   XCENC  =       -83.57560000
  PAW double counting   =    100887.92300837  -100786.96013855
  entropy T*S    EENTRO =        -0.00389619
  eigenvalues    EBANDS =       -34.97544474
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90557352 eV

  energy without entropy =      -13.90167733  energy(sigma->0) =      -13.90427479
  exchange ACFDT corr.  =        -0.00386636  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9719


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8905       2 -69.7855       3 -69.7930       4 -69.7900       5 -69.8976
 
 
 
 E-fermi :   3.1636     XC(G=0):  -5.1311     alpha+bet : -8.9779

 Fermi energy:         3.1636235494

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8467      1.00000
      2      -9.9356      1.00000
      3      -8.5930      1.00000
      4      -6.7719      1.00000
      5      -4.3762      1.00000
      6      -1.6069      1.00000
      7       1.5504      1.00000
      8       4.5674     -0.00000
      9       5.3959     -0.00000
     10       7.9171     -0.00000
     11       7.9515     -0.00000
     12      11.8786      0.00000
     13      12.1567      0.00000
     14      16.1032      0.00000
     15      16.1062      0.00000
     16      16.1116      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7560      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7562      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7599      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5639      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5640      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5642      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7927      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7926      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7922      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6148      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6147      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6150      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1789     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3349      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3349      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3349      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3349      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0209      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0350      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0451      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8154      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8178      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8174      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8229      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8292      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8347      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6480      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6480      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6481      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2074     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39869
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2074     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8184      1.00000
      2      -0.8165      1.00000
      3      -0.7854      1.00000
      4       0.0309      1.00000
      5       0.1186      1.00000
      6       0.1217      1.00000
      7       1.1277      1.00000
      8       1.1312      1.00000
      9       1.8160      1.00000
     10       2.6805      1.00169
     11       4.0821     -0.00000
     12       4.0857     -0.00000
     13       5.9497     -0.00000
     14       5.9561     -0.00000
     15       6.0199     -0.00000
     16       8.0066     -0.00000
 Fermi energy:         3.1636235494

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8467      1.00000
      2      -9.9356      1.00000
      3      -8.5930      1.00000
      4      -6.7719      1.00000
      5      -4.3762      1.00000
      6      -1.6069      1.00000
      7       1.5504      1.00000
      8       4.5674     -0.00000
      9       5.3959     -0.00000
     10       7.9171     -0.00000
     11       7.9515     -0.00000
     12      11.8786      0.00000
     13      12.1567      0.00000
     14      16.1032      0.00000
     15      16.1054      0.00000
     16      16.1116      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6381      1.00000
      2      -9.7263      1.00000
      3      -8.3827      1.00000
      4      -6.5599      1.00000
      5      -4.1602      1.00000
      6      -1.3967      1.00000
      7       1.7641      1.00000
      8       4.7506     -0.00000
      9       5.5704     -0.00000
     10       8.0854     -0.00000
     11       8.1171     -0.00000
     12      12.0120      0.00000
     13      12.2560      0.00000
     14      13.1589      0.00000
     15      13.9000      0.00000
     16      14.3674      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7568      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7561      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0122      1.00000
      2      -9.0985      1.00000
      3      -7.7516      1.00000
      4      -5.9239      1.00000
      5      -3.5130      1.00000
      6      -0.7668      1.00000
      7       2.3925      1.00000
      8       5.2847     -0.00000
      9       6.0887     -0.00000
     10       8.4704     -0.00000
     11       8.6049     -0.00000
     12       9.7584      0.00000
     13      10.3248      0.00000
     14      11.4024      0.00000
     15      12.4844      0.00000
     16      12.7557      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5639      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5642      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9683      1.00000
      2      -8.0509      1.00000
      3      -6.6985      1.00000
      4      -4.8637      1.00000
      5      -2.4400      1.00000
      6       0.2728      1.00000
      7       3.3600     -0.02391
      8       5.6580     -0.00000
      9       6.5278     -0.00000
     10       6.9066     -0.00000
     11       7.0384     -0.00000
     12       8.0920     -0.00000
     13       9.3897      0.00000
     14       9.5610      0.00000
     15       9.7882      0.00000
     16      11.5640      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7924      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7924      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5044      1.00000
      2      -6.5813      1.00000
      3      -5.2219      1.00000
      4      -3.3830      1.00000
      5      -0.9709      1.00000
      6       1.5761      1.00000
      7       2.5887      1.00020
      8       3.5764     -0.00636
      9       4.8240     -0.00000
     10       5.0861     -0.00000
     11       6.5163     -0.00000
     12       7.5975     -0.00000
     13       8.1987     -0.00000
     14       8.6789      0.00000
     15      10.5007      0.00000
     16      10.7921      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6164      1.00000
      2      -4.6871      1.00000
      3      -3.3267      1.00000
      4      -1.5254      1.00000
      5      -0.6185      1.00000
      6       0.1595      1.00000
      7       1.1113      1.00000
      8       2.0319      1.00000
      9       3.6426     -0.00180
     10       3.7301     -0.00022
     11       5.8996     -0.00000
     12       6.6563     -0.00000
     13       8.2197     -0.00000
     14       9.1509      0.00000
     15       9.7396      0.00000
     16      10.4474      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3142      1.00000
      2      -3.2959      1.00000
      3      -2.3843      1.00000
      4      -2.3798      1.00000
      5      -1.2591      1.00000
      6      -0.8734      1.00000
      7       0.6358      1.00000
      8       1.3706      1.00000
      9       3.3539     -0.01983
     10       3.4855     -0.02224
     11       5.6671     -0.00000
     12       6.0029     -0.00000
     13       8.3557     -0.00000
     14       8.8248      0.00000
     15      10.2798      0.00000
     16      10.5254      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6149      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6147      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2208      1.00000
      2      -9.3078      1.00000
      3      -7.9620      1.00000
      4      -6.1359      1.00000
      5      -3.7285      1.00000
      6      -0.9766      1.00000
      7       2.1856      1.00000
      8       5.1109     -0.00000
      9       5.9173     -0.00000
     10       8.4117     -0.00000
     11       8.4279     -0.00000
     12      11.4694      0.00000
     13      11.4860      0.00000
     14      11.9201      0.00000
     15      12.0570      0.00000
     16      12.6164      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3860      1.00000
      2      -8.4701      1.00000
      3      -7.1200      1.00000
      4      -5.2878      1.00000
      5      -2.8680      1.00000
      6      -0.1401      1.00000
      7       2.9960      0.99765
      8       5.7712     -0.00000
      9       6.5875     -0.00000
     10       7.8969     -0.00000
     11       8.6292      0.00000
     12       8.9943      0.00000
     13       9.4110      0.00000
     14       9.8608      0.00000
     15      10.2118      0.00000
     16      10.7681      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0004      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1324      1.00000
      2      -7.2117      1.00000
      3      -5.8551      1.00000
      4      -4.0164      1.00000
      5      -1.5913      1.00000
      6       1.0812      1.00000
      7       3.8070     -0.00002
      8       4.6949     -0.00000
      9       5.4427     -0.00000
     10       6.5314     -0.00000
     11       7.0444     -0.00000
     12       7.6827     -0.00000
     13       8.1788     -0.00000
     14       8.9353      0.00000
     15       9.6356      0.00000
     16      10.0003      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4568      1.00000
      2      -5.5297      1.00000
      3      -4.1675      1.00000
      4      -2.3350      1.00000
      5      -0.0111      1.00000
      6       1.0493      1.00000
      7       2.0232      1.00000
      8       2.9895      1.00510
      9       3.5466     -0.01023
     10       5.1890     -0.00000
     11       5.8543     -0.00000
     12       7.3043     -0.00000
     13       7.9921     -0.00000
     14       8.6287      0.00000
     15       9.0900      0.00000
     16       9.1545      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3559      1.00000
      2      -3.4262      1.00000
      3      -2.0823      1.00000
      4      -1.8421      1.00000
      5      -0.9861      1.00000
      6      -0.3517      1.00000
      7       0.6616      1.00000
      8       2.2718      1.00000
      9       2.6408      1.00071
     10       4.7115     -0.00000
     11       4.8840     -0.00000
     12       7.0253     -0.00000
     13       7.4804     -0.00000
     14       8.0219     -0.00000
     15       8.8707      0.00000
     16       9.6800      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0207      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0277      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3416      1.00000
      2      -7.4218      1.00000
      3      -6.0661      1.00000
      4      -4.2280      1.00000
      5      -1.8015      1.00000
      6       0.8884      1.00000
      7       3.9073     -0.00000
      8       6.0337     -0.00000
      9       6.5365     -0.00000
     10       7.2587     -0.00000
     11       7.3190     -0.00000
     12       7.5383     -0.00000
     13       7.5903     -0.00000
     14       8.4068     -0.00000
     15       8.7642      0.00000
     16      10.0237      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8768      1.00000
      2      -5.9512      1.00000
      3      -4.5895      1.00000
      4      -2.7506      1.00000
      5      -0.3497      1.00000
      6       2.1626      1.00000
      7       3.1783      0.42862
      8       4.1514     -0.00000
      9       5.1005     -0.00000
     10       5.3875     -0.00000
     11       5.9199     -0.00000
     12       6.5025     -0.00000
     13       7.0185     -0.00000
     14       7.7638     -0.00000
     15       8.3725     -0.00000
     16       8.7430      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8141      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8141      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8179      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8192      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8224      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9880      1.00000
      2      -4.0575      1.00000
      3      -2.6980      1.00000
      4      -0.9066      1.00000
      5      -0.0020      1.00000
      6       0.7615      1.00000
      7       1.7034      1.00000
      8       2.6058      1.00030
      9       4.0786     -0.00000
     10       4.2601     -0.00000
     11       4.9043     -0.00000
     12       5.7624     -0.00000
     13       6.6191     -0.00000
     14       7.4011     -0.00000
     15       7.4771     -0.00000
     16       8.8276      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6882      1.00000
      2      -2.6695      1.00000
      3      -1.7672      1.00000
      4      -1.7500      1.00000
      5      -0.6446      1.00000
      6      -0.2602      1.00000
      7       1.2369      1.00000
      8       1.9643      1.00000
      9       3.7583     -0.00011
     10       3.8807     -0.00000
     11       4.7509     -0.00000
     12       5.7860     -0.00000
     13       6.3892     -0.00000
     14       6.7478     -0.00000
     15       7.1463     -0.00000
     16       8.6671      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6480      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6480      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1990      1.00000
      2      -4.2686      1.00000
      3      -2.9063      1.00000
      4      -1.0906      1.00000
      5       1.1292      1.00000
      6       2.1480      1.00000
      7       2.3143      1.00000
      8       3.0372      0.93132
      9       3.4928     -0.02083
     10       4.2498     -0.00000
     11       4.4943     -0.00000
     12       4.8758     -0.00000
     13       6.2060     -0.00000
     14       6.8396     -0.00000
     15       7.1950     -0.00000
     16       8.6480      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2077     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0991      1.00000
      2      -2.1727      1.00000
      3      -0.8443      1.00000
      4      -0.5965      1.00000
      5       0.2375      1.00000
      6       0.8326      1.00000
      7       1.7978      1.00000
      8       1.8590      1.00000
      9       2.6019      1.00027
     10       3.1870      0.39870
     11       4.1150     -0.00000
     12       4.6666     -0.00000
     13       6.0359     -0.00000
     14       6.1380     -0.00000
     15       6.3379     -0.00000
     16       8.2075     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8184      1.00000
      2      -0.8165      1.00000
      3      -0.7854      1.00000
      4       0.0309      1.00000
      5       0.1186      1.00000
      6       0.1217      1.00000
      7       1.1277      1.00000
      8       1.1312      1.00000
      9       1.8160      1.00000
     10       2.6805      1.00169
     11       4.0821     -0.00000
     12       4.0857     -0.00000
     13       5.9497     -0.00000
     14       5.9561     -0.00000
     15       6.0199     -0.00000
     16       8.0070     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.929 -61.917  -0.000  -0.146  -0.000   0.000  -0.011   0.000
-61.917  33.070   0.000   0.069   0.000  -0.000   0.008  -0.000
 -0.000   0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.146   0.069  -0.000   1.699   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.008   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.6279: real time    426.7150
    FORNL :  cpu time      0.4988: real time      0.5048
    FORCOR:  cpu time      1.9515: real time      1.9635
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.995E-06 -.168E-06 0.180E+03   0.364E-13 0.225E-13 -.179E+03   0.134E-05 -.243E-06 -.106E+01
   -.867E-06 -.133E-07 0.912E+02   0.742E-14 0.716E-14 -.911E+02   -.118E-06 0.484E-06 -.710E-01
   0.164E-05 0.298E-05 -.197E+00   -.143E-12 -.813E-13 0.189E+00   -.172E-05 -.228E-05 0.185E-01
   -.401E-05 -.340E-05 -.914E+02   0.128E-12 0.803E-13 0.913E+02   0.386E-05 0.465E-05 0.960E-01
   -.387E-06 0.236E-06 -.180E+03   -.390E-13 -.255E-13 0.179E+03   0.507E-07 0.616E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.544E-05 -.872E-06 -.154E-02   -.971E-14 0.313E-14 0.000E+00   0.342E-05 0.323E-05 0.112E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.022515
      0.00000      0.00000      2.37603        -0.000001     -0.000000     -0.001281
      1.42873      0.82488      4.70751         0.000000      0.000000      0.009920
      2.85746      1.64976      7.04266         0.000000      0.000001      0.012752
      0.00000      0.00000      9.42789        -0.000000      0.000000      0.001124
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000003     -0.000949


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90557352 eV

  energy  without entropy=      -13.90167733  energy(sigma->0) =      -13.90427479
 
 d Force = 0.5084551E-04[ 0.513E-04, 0.504E-04]  d Energy = 0.4827017E-04 0.258E-05
 d Force = 0.6999117E+00[ 0.700E+00, 0.700E+00]  d Ewald  = 0.6999117E+00-0.179E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9513: real time      1.9641


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.127E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.2662
 eigenvalue spectrum of G is  2.2662


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2237: real time      1.3009
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9515: real time      1.9637
    EDDIAG:  cpu time    589.2244: real time    594.1940
    CHARGE:  cpu time      0.2680: real time      0.2703
 writing wavefunctions
     LOOP+:  cpu time   5761.2339: real time   5809.7002


--------------------------------------- Iteration     72(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7243: real time      0.7304
    SETDIJ:  cpu time      1.2297: real time      1.2355
    TRIAL :  cpu time    591.1058: real time    596.1364
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.3432: real time    598.3890

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3062922E-02  (-0.1000195E-02)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0013537 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.67697858
  -exchange      EXHF   =        33.19219702
  -V(xc)+E(xc)   XCENC  =       -83.57291389
  PAW double counting   =    100871.80862854  -100770.84648959
  entropy T*S    EENTRO =        -0.00430645
  eigenvalues    EBANDS =       -35.22308264
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90250531 eV

  energy without entropy =      -13.89819886  energy(sigma->0) =      -13.90106982
  exchange ACFDT corr.  =        -0.00407207  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2292: real time      1.2351
    TRIAL :  cpu time    590.0222: real time    595.0122
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time    592.2466: real time    597.2507

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8828716E-03  (-0.9785996E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0013380 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.79637757
  -exchange      EXHF   =        33.19361385
  -V(xc)+E(xc)   XCENC  =       -83.57244924
  PAW double counting   =    100877.62994406  -100776.66786036
  entropy T*S    EENTRO =        -0.00431499
  eigenvalues    EBANDS =       -35.10638462
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90338818 eV

  energy without entropy =      -13.89907319  energy(sigma->0) =      -13.90194985
  exchange ACFDT corr.  =        -0.00408389  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7294
    SETDIJ:  cpu time      1.2415: real time      1.2469
    TRIAL :  cpu time    591.3188: real time    596.3436
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    593.5575: real time    598.5965

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8182842E-03  (-0.6211007E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0013219 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.88970490
  -exchange      EXHF   =        33.19508075
  -V(xc)+E(xc)   XCENC  =       -83.57196604
  PAW double counting   =    100886.32059627  -100785.35850662
  entropy T*S    EENTRO =        -0.00432381
  eigenvalues    EBANDS =       -35.01582310
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90420646 eV

  energy without entropy =      -13.89988265  energy(sigma->0) =      -13.90276519
  exchange ACFDT corr.  =        -0.00409834  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2415: real time      1.2473
    TRIAL :  cpu time    589.1903: real time    594.2078
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    591.4281: real time    596.4599

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5088411E-03  (-0.3522551E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0013079 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.92136604
  -exchange      EXHF   =        33.19600759
  -V(xc)+E(xc)   XCENC  =       -83.57166810
  PAW double counting   =    100895.29433972  -100794.33220995
  entropy T*S    EENTRO =        -0.00433592
  eigenvalues    EBANDS =       -34.98592688
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90471530 eV

  energy without entropy =      -13.90037938  energy(sigma->0) =      -13.90327000
  exchange ACFDT corr.  =        -0.00411148  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7304
    SETDIJ:  cpu time      1.2403: real time      1.2462
    TRIAL :  cpu time    592.8191: real time    597.8512
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    595.0576: real time    600.1041

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2866401E-03  (-0.1961008E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0012971 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.92528869
  -exchange      EXHF   =        33.19639265
  -V(xc)+E(xc)   XCENC  =       -83.57155476
  PAW double counting   =    100903.32199461  -100802.35986294
  entropy T*S    EENTRO =        -0.00435025
  eigenvalues    EBANDS =       -34.98277905
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90500194 eV

  energy without entropy =      -13.90065170  energy(sigma->0) =      -13.90355186
  exchange ACFDT corr.  =        -0.00412335  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7238: real time      0.7299
    SETDIJ:  cpu time      1.2391: real time      1.2449
    TRIAL :  cpu time    593.9800: real time    599.0587
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2680: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    596.2155: real time    601.3090

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1587828E-03  (-0.1080443E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0012885 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.92217567
  -exchange      EXHF   =        33.19641451
  -V(xc)+E(xc)   XCENC  =       -83.57156092
  PAW double counting   =    100909.40975617  -100808.44756666
  entropy T*S    EENTRO =        -0.00436287
  eigenvalues    EBANDS =       -34.98611007
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90516073 eV

  energy without entropy =      -13.90079785  energy(sigma->0) =      -13.90370644
  exchange ACFDT corr.  =        -0.00413381  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2369: real time      1.2423
    TRIAL :  cpu time    590.2056: real time    595.2223
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    592.4390: real time    597.4695

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8762995E-04  (-0.6283225E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0012816 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.91057202
  -exchange      EXHF   =        33.19626876
  -V(xc)+E(xc)   XCENC  =       -83.57161773
  PAW double counting   =    100914.29693856  -100813.33469574
  entropy T*S    EENTRO =        -0.00437225
  eigenvalues    EBANDS =       -34.99763947
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90524836 eV

  energy without entropy =      -13.90087611  energy(sigma->0) =      -13.90379094
  exchange ACFDT corr.  =        -0.00414219  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7290
    SETDIJ:  cpu time      1.2408: real time      1.2462
    TRIAL :  cpu time    590.1135: real time    595.1243
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.3506: real time    597.3756

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5207615E-04  (-0.3951861E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0012762 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.89489783
  -exchange      EXHF   =        33.19612665
  -V(xc)+E(xc)   XCENC  =       -83.57166988
  PAW double counting   =    100918.69878695  -100817.73653761
  entropy T*S    EENTRO =        -0.00437983
  eigenvalues    EBANDS =       -35.01316862
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90530043 eV

  energy without entropy =      -13.90092061  energy(sigma->0) =      -13.90384049
  exchange ACFDT corr.  =        -0.00414869  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7278
    SETDIJ:  cpu time      1.2392: real time      1.2450
    TRIAL :  cpu time    589.6092: real time    594.6495
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    591.8434: real time    596.8979

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3355024E-04  (-0.2558658E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0012716 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.88699717
  -exchange      EXHF   =        33.19607895
  -V(xc)+E(xc)   XCENC  =       -83.57169011
  PAW double counting   =    100922.91197914  -100821.94970322
  entropy T*S    EENTRO =        -0.00438698
  eigenvalues    EBANDS =       -35.02105390
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90533398 eV

  energy without entropy =      -13.90094700  energy(sigma->0) =      -13.90387165
  exchange ACFDT corr.  =        -0.00415430  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7287
    SETDIJ:  cpu time      1.2396: real time      1.2451
    TRIAL :  cpu time    591.8407: real time    596.9006
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2700: real time      0.2722
    --------------------------------------------
      LOOP:  cpu time    594.0776: real time    599.1518

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2182178E-04  (-0.1586954E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0012670 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.89019426
  -exchange      EXHF   =        33.19611779
  -V(xc)+E(xc)   XCENC  =       -83.57168057
  PAW double counting   =    100927.57504879  -100826.61278622
  entropy T*S    EENTRO =        -0.00439375
  eigenvalues    EBANDS =       -35.01790652
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90535580 eV

  energy without entropy =      -13.90096205  energy(sigma->0) =      -13.90389122
  exchange ACFDT corr.  =        -0.00415968  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7279
    SETDIJ:  cpu time      1.2374: real time      1.2431
    TRIAL :  cpu time    591.3854: real time    596.4494
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    593.6183: real time    598.6963

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1346505E-04  (-0.9331185E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0012625 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.89719538
  -exchange      EXHF   =        33.19618650
  -V(xc)+E(xc)   XCENC  =       -83.57165986
  PAW double counting   =    100932.91633460  -100831.95408457
  entropy T*S    EENTRO =        -0.00439973
  eigenvalues    EBANDS =       -35.01098897
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90536927 eV

  energy without entropy =      -13.90096953  energy(sigma->0) =      -13.90390269
  exchange ACFDT corr.  =        -0.00416476  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     72(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7293
    SETDIJ:  cpu time      1.2373: real time      1.2428
    TRIAL :  cpu time    591.1836: real time    596.2053
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.7902: real time    595.7779
    CHARGE:  cpu time      0.2692: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time   1184.2083: real time   1194.2320

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7879571E-05  (-0.5371418E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0012583 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       391.83904791
  -Hartree energ DENC   =      -689.90100804
  -exchange      EXHF   =        33.19626406
  -V(xc)+E(xc)   XCENC  =       -83.57164392
  PAW double counting   =    100938.76480635  -100837.80257018
  entropy T*S    EENTRO =        -0.00440491
  eigenvalues    EBANDS =       -35.00723283
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90537715 eV

  energy without entropy =      -13.90097223  energy(sigma->0) =      -13.90390884
  exchange ACFDT corr.  =        -0.00416925  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8700


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8945       2 -69.7829       3 -69.7854       4 -69.7858       5 -69.8989
 
 
 
 E-fermi :   3.1594     XC(G=0):  -5.1293     alpha+bet : -8.9779

 Fermi energy:         3.1594211525

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8550      1.00000
      2      -9.9379      1.00000
      3      -8.5945      1.00000
      4      -6.7743      1.00000
      5      -4.3682      1.00000
      6      -1.6044      1.00000
      7       1.5641      1.00000
      8       4.5745     -0.00000
      9       5.3975     -0.00000
     10       7.9180     -0.00000
     11       7.9566     -0.00000
     12      11.8796      0.00000
     13      12.1612      0.00000
     14      16.0945      0.00000
     15      16.0979      0.00000
     16      16.1041      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7555      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7557      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7588      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5693      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5693      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5696      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7957      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7956      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7954      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6156      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6155      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6158      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97905
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97905
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97905
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97905
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00113
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00113
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7625      0.00000
     16      10.0222      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7625      0.00000
     16      10.0349      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7626      0.00000
     16      10.0438      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8164      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8185      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8175      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8263      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8282      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8356      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6531      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6531      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6532      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2119     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39309
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39309
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2119     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8279      1.00000
      2      -0.8258      1.00000
      3      -0.7958      1.00000
      4       0.0260      1.00000
      5       0.1161      1.00000
      6       0.1199      1.00000
      7       1.1250      1.00000
      8       1.1301      1.00000
      9       1.8136      1.00000
     10       2.6765      1.00168
     11       4.0809     -0.00000
     12       4.0830     -0.00000
     13       5.9555     -0.00000
     14       5.9623     -0.00000
     15       6.0308     -0.00000
     16       8.0068     -0.00000
 Fermi energy:         3.1594211525

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8550      1.00000
      2      -9.9379      1.00000
      3      -8.5945      1.00000
      4      -6.7743      1.00000
      5      -4.3682      1.00000
      6      -1.6044      1.00000
      7       1.5641      1.00000
      8       4.5745     -0.00000
      9       5.3975     -0.00000
     10       7.9180     -0.00000
     11       7.9566     -0.00000
     12      11.8796      0.00000
     13      12.1612      0.00000
     14      16.0945      0.00000
     15      16.0972      0.00000
     16      16.1041      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6464      1.00000
      2      -9.7287      1.00000
      3      -8.3843      1.00000
      4      -6.5623      1.00000
      5      -4.1521      1.00000
      6      -1.3943      1.00000
      7       1.7778      1.00000
      8       4.7577     -0.00000
      9       5.5719     -0.00000
     10       8.0862     -0.00000
     11       8.1222     -0.00000
     12      12.0124      0.00000
     13      12.2596      0.00000
     14      13.1524      0.00000
     15      13.8978      0.00000
     16      14.3591      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7564      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7555      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0206      1.00000
      2      -9.1009      1.00000
      3      -7.7532      1.00000
      4      -5.9264      1.00000
      5      -3.5050      1.00000
      6      -0.7645      1.00000
      7       2.4058      1.00000
      8       5.2916     -0.00000
      9       6.0902     -0.00000
     10       8.4712     -0.00000
     11       8.6075     -0.00000
     12       9.7528      0.00000
     13      10.3216      0.00000
     14      11.4012      0.00000
     15      12.4867      0.00000
     16      12.7554      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5693      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5695      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9769      1.00000
      2      -8.0534      1.00000
      3      -6.7001      1.00000
      4      -4.8663      1.00000
      5      -2.4322      1.00000
      6       0.2748      1.00000
      7       3.3714     -0.02992
      8       5.6554     -0.00000
      9       6.5280     -0.00000
     10       6.9054     -0.00000
     11       7.0392     -0.00000
     12       8.0904     -0.00000
     13       9.3900      0.00000
     14       9.5623      0.00000
     15       9.7898      0.00000
     16      11.5694      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7956      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7956      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.5132      1.00000
      2      -6.5839      1.00000
      3      -5.2236      1.00000
      4      -3.3858      1.00000
      5      -0.9635      1.00000
      6       1.5764      1.00000
      7       2.5803      1.00016
      8       3.5740     -0.00634
      9       4.8239     -0.00000
     10       5.0962     -0.00000
     11       6.5132     -0.00000
     12       7.6036     -0.00000
     13       8.2003     -0.00000
     14       8.6858      0.00000
     15      10.5024      0.00000
     16      10.7954      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6256      1.00000
      2      -4.6898      1.00000
      3      -3.3285      1.00000
      4      -1.5286      1.00000
      5      -0.6284      1.00000
      6       0.1587      1.00000
      7       1.1141      1.00000
      8       2.0322      1.00000
      9       3.6403     -0.00177
     10       3.7314     -0.00020
     11       5.9063     -0.00000
     12       6.6676     -0.00000
     13       8.2224     -0.00000
     14       9.1559      0.00000
     15       9.7407      0.00000
     16      10.4388      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3236      1.00000
      2      -3.3058      1.00000
      3      -2.3866      1.00000
      4      -2.3834      1.00000
      5      -1.2611      1.00000
      6      -0.8756      1.00000
      7       0.6321      1.00000
      8       1.3685      1.00000
      9       3.3598     -0.02511
     10       3.4943     -0.01990
     11       5.6675     -0.00000
     12       6.0058     -0.00000
     13       8.3673     -0.00000
     14       8.8324      0.00000
     15      10.2712      0.00000
     16      10.5263      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6157      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6155      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2292      1.00000
      2      -9.3102      1.00000
      3      -7.9636      1.00000
      4      -6.1384      1.00000
      5      -3.7205      1.00000
      6      -0.9742      1.00000
      7       2.1991      1.00000
      8       5.1179     -0.00000
      9       5.9188     -0.00000
     10       8.4123     -0.00000
     11       8.4326     -0.00000
     12      11.4608      0.00000
     13      11.4777      0.00000
     14      11.9181      0.00000
     15      12.0569      0.00000
     16      12.6170      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3945      1.00000
      2      -8.4726      1.00000
      3      -7.1216      1.00000
      4      -5.2903      1.00000
      5      -2.8601      1.00000
      6      -0.1379      1.00000
      7       3.0085      0.97906
      8       5.7773     -0.00000
      9       6.5887     -0.00000
     10       7.8889     -0.00000
     11       8.6287      0.00000
     12       8.9946      0.00000
     13       9.4115      0.00000
     14       9.8599      0.00000
     15      10.2061      0.00000
     16      10.7649      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0073      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1411      1.00000
      2      -7.2143      1.00000
      3      -5.8568      1.00000
      4      -4.0192      1.00000
      5      -1.5837      1.00000
      6       1.0830      1.00000
      7       3.8083     -0.00002
      8       4.6939     -0.00000
      9       5.4425     -0.00000
     10       6.5302     -0.00000
     11       7.0488     -0.00000
     12       7.6841     -0.00000
     13       8.1759     -0.00000
     14       8.9275      0.00000
     15       9.6347      0.00000
     16      10.0072      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4658      1.00000
      2      -5.5324      1.00000
      3      -4.1693      1.00000
      4      -2.3380      1.00000
      5      -0.0052      1.00000
      6       1.0405      1.00000
      7       2.0205      1.00000
      8       2.9905      1.00114
      9       3.5453     -0.01007
     10       5.1862     -0.00000
     11       5.8645     -0.00000
     12       7.3094     -0.00000
     13       7.9905     -0.00000
     14       8.6301      0.00000
     15       9.0918      0.00000
     16       9.1541      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3653      1.00000
      2      -3.4290      1.00000
      3      -2.0843      1.00000
      4      -1.8520      1.00000
      5      -0.9894      1.00000
      6      -0.3545      1.00000
      7       0.6597      1.00000
      8       2.2733      1.00000
      9       2.6436      1.00079
     10       4.7179     -0.00000
     11       4.8860     -0.00000
     12       7.0254     -0.00000
     13       7.4833     -0.00000
     14       8.0217     -0.00000
     15       8.8719      0.00000
     16       9.6841      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7625      0.00000
     16      10.0221      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7625      0.00000
     16      10.0281      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3503      1.00000
      2      -7.4243      1.00000
      3      -6.0678      1.00000
      4      -4.2307      1.00000
      5      -1.7937      1.00000
      6       0.8903      1.00000
      7       3.9174     -0.00000
      8       6.0306     -0.00000
      9       6.5291     -0.00000
     10       7.2555     -0.00000
     11       7.3181     -0.00000
     12       7.5373     -0.00000
     13       7.5918     -0.00000
     14       8.4051     -0.00000
     15       8.7625      0.00000
     16      10.0249      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8857      1.00000
      2      -5.9538      1.00000
      3      -4.5912      1.00000
      4      -2.7536      1.00000
      5      -0.3424      1.00000
      6       2.1626      1.00000
      7       3.1699      0.45814
      8       4.1489     -0.00000
      9       5.0991     -0.00000
     10       5.3855     -0.00000
     11       5.9203     -0.00000
     12       6.5028     -0.00000
     13       7.0169     -0.00000
     14       7.7638     -0.00000
     15       8.3765     -0.00000
     16       8.7446      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8170      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8152      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8186      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8210      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8218      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9973      1.00000
      2      -4.0603      1.00000
      3      -2.6998      1.00000
      4      -0.9099      1.00000
      5      -0.0119      1.00000
      6       0.7607      1.00000
      7       1.7059      1.00000
      8       2.6057      1.00032
      9       4.0767     -0.00000
     10       4.2591     -0.00000
     11       4.8971     -0.00000
     12       5.7616     -0.00000
     13       6.6221     -0.00000
     14       7.4037     -0.00000
     15       7.4871     -0.00000
     16       8.8304      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6977      1.00000
      2      -2.6795      1.00000
      3      -1.7709      1.00000
      4      -1.7523      1.00000
      5      -0.6466      1.00000
      6      -0.2624      1.00000
      7       1.2332      1.00000
      8       1.9622      1.00000
      9       3.7629     -0.00009
     10       3.8847     -0.00000
     11       4.7466     -0.00000
     12       5.7845     -0.00000
     13       6.3891     -0.00000
     14       6.7507     -0.00000
     15       7.1453     -0.00000
     16       8.6657      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6531      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6531      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.2082      1.00000
      2      -4.2713      1.00000
      3      -2.9081      1.00000
      4      -1.0938      1.00000
      5       1.1342      1.00000
      6       2.1394      1.00000
      7       2.3052      1.00000
      8       3.0329      0.93521
      9       3.4910     -0.02054
     10       4.2492     -0.00000
     11       4.4943     -0.00000
     12       4.8743     -0.00000
     13       6.2030     -0.00000
     14       6.8386     -0.00000
     15       7.2062     -0.00000
     16       8.6531      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39309
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39309
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2121     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.1087      1.00000
      2      -2.1756      1.00000
      3      -0.8464      1.00000
      4      -0.6063      1.00000
      5       0.2341      1.00000
      6       0.8298      1.00000
      7       1.7909      1.00000
      8       1.8543      1.00000
      9       2.6002      1.00027
     10       3.1852      0.39310
     11       4.1181     -0.00000
     12       4.6665     -0.00000
     13       6.0381     -0.00000
     14       6.1386     -0.00000
     15       6.3416     -0.00000
     16       8.2120     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8279      1.00000
      2      -0.8258      1.00000
      3      -0.7958      1.00000
      4       0.0260      1.00000
      5       0.1161      1.00000
      6       0.1199      1.00000
      7       1.1250      1.00000
      8       1.1301      1.00000
      9       1.8136      1.00000
     10       2.6765      1.00168
     11       4.0809     -0.00000
     12       4.0830     -0.00000
     13       5.9555     -0.00000
     14       5.9623     -0.00000
     15       6.0308     -0.00000
     16       8.0073     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765   0.000
  0.000   0.000   0.000  -0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.934 -61.920   0.000  -0.146  -0.000  -0.000  -0.012   0.000
-61.920  33.072  -0.000   0.069   0.000   0.000   0.008  -0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.146   0.069  -0.000   1.700   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.012   0.008   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7237: real time    427.7577
    FORNL :  cpu time      0.4992: real time      0.5052
    FORCOR:  cpu time      1.9578: real time      1.9694
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.366E-06 0.285E-05 0.180E+03   0.410E-13 0.246E-13 -.179E+03   -.860E-06 -.295E-05 -.106E+01
   0.857E-06 0.105E-05 0.915E+02   -.271E-14 0.386E-14 -.914E+02   -.755E-06 -.343E-06 -.858E-01
   -.113E-05 -.166E-05 -.228E+00   -.135E-12 -.787E-13 0.214E+00   0.147E-05 0.617E-06 0.273E-01
   0.690E-06 0.234E-05 -.916E+02   0.129E-12 0.758E-13 0.916E+02   -.445E-06 -.366E-05 0.115E+00
   -.352E-05 -.368E-05 -.180E+03   -.422E-13 -.224E-13 0.179E+03   0.399E-05 0.357E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.373E-05 0.546E-06 -.928E-02   -.971E-14 0.313E-14 0.000E+00   0.340E-05 -.277E-05 0.186E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000001     -0.023355
      0.00000      0.00000      2.37546        -0.000000      0.000001     -0.010314
      1.42873      0.82488      4.70211        -0.000001     -0.000001      0.010867
      2.85746      1.64976      7.03334         0.000000     -0.000001      0.018733
      0.00000      0.00000      9.41850         0.000000      0.000000      0.004069
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000002      0.010755


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90537715 eV

  energy  without entropy=      -13.90097223  energy(sigma->0) =      -13.90390884
 
 d Force =-0.2239906E-03[-0.266E-03,-0.182E-03]  d Energy =-0.1963724E-03-0.276E-04
 d Force =-0.2481749E+01[-0.248E+01,-0.248E+01]  d Ewald  =-0.2481749E+01 0.818E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9594: real time      1.9710


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.286E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  13.6088
 eigenvalue spectrum of G is 13.6088


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0772
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9560: real time      1.9685
    EDDIAG:  cpu time    593.7655: real time    598.7454
    CHARGE:  cpu time      0.2680: real time      0.2703
 writing wavefunctions
     LOOP+:  cpu time   8736.5474: real time   8810.3629


--------------------------------------- Iteration     73(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7250: real time      0.7313
    SETDIJ:  cpu time      1.2278: real time      1.2332
    TRIAL :  cpu time    591.6813: real time    596.7474
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    593.9173: real time    598.9981

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.9201040E-02  (-0.4184534E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0015087 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -686.12980080
  -exchange      EXHF   =        33.18245788
  -V(xc)+E(xc)   XCENC  =       -83.57604067
  PAW double counting   =    100628.27035720  -100527.30661708
  entropy T*S    EENTRO =        -0.00363836
  eigenvalues    EBANDS =       -34.30984957
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89616823 eV

  energy without entropy =      -13.89252987  energy(sigma->0) =      -13.89495544
  exchange ACFDT corr.  =        -0.00378644  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2289: real time      1.2346
    TRIAL :  cpu time    592.1079: real time    597.1566
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2700: real time      0.2723
    --------------------------------------------
      LOOP:  cpu time    594.3335: real time    599.3963

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3151008E-02  (-0.3960811E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014987 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.61678766
  -exchange      EXHF   =        33.17894852
  -V(xc)+E(xc)   XCENC  =       -83.57725076
  PAW double counting   =    100606.74057332  -100505.77673203
  entropy T*S    EENTRO =        -0.00362973
  eigenvalues    EBANDS =       -34.82144470
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.89931924 eV

  energy without entropy =      -13.89568950  energy(sigma->0) =      -13.89810933
  exchange ACFDT corr.  =        -0.00375774  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7288
    SETDIJ:  cpu time      1.2287: real time      1.2341
    TRIAL :  cpu time    591.7946: real time    596.8044
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2704: real time      0.2726
    --------------------------------------------
      LOOP:  cpu time    594.0211: real time    599.0445

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3034197E-02  (-0.2237589E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014947 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.36071454
  -exchange      EXHF   =        33.17581749
  -V(xc)+E(xc)   XCENC  =       -83.57829655
  PAW double counting   =    100592.04197165  -100491.07812558
  entropy T*S    EENTRO =        -0.00364553
  eigenvalues    EBANDS =       -35.07638858
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90235344 eV

  energy without entropy =      -13.89870790  energy(sigma->0) =      -13.90113826
  exchange ACFDT corr.  =        -0.00377261  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2297: real time      1.2351
    TRIAL :  cpu time    592.5377: real time    597.5801
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    594.7648: real time    599.8209

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1708850E-02  (-0.1153229E-02)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014967 magnetization       0.0000004

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.43878952
  -exchange      EXHF   =        33.17448832
  -V(xc)+E(xc)   XCENC  =       -83.57872784
  PAW double counting   =    100592.51228917  -100491.54856793
  entropy T*S    EENTRO =        -0.00364242
  eigenvalues    EBANDS =       -34.99812137
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90406229 eV

  energy without entropy =      -13.90041987  energy(sigma->0) =      -13.90284815
  exchange ACFDT corr.  =        -0.00375834  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2300: real time      1.2353
    TRIAL :  cpu time    590.5361: real time    595.5691
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    592.7623: real time    597.8090

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8013333E-03  (-0.5378882E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014964 magnetization       0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.52900826
  -exchange      EXHF   =        33.17432346
  -V(xc)+E(xc)   XCENC  =       -83.57878532
  PAW double counting   =    100605.43230361  -100504.46879003
  entropy T*S    EENTRO =        -0.00361920
  eigenvalues    EBANDS =       -34.90827707
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90486362 eV

  energy without entropy =      -13.90124442  energy(sigma->0) =      -13.90365722
  exchange ACFDT corr.  =        -0.00374329  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2296: real time      1.2352
    TRIAL :  cpu time    586.8301: real time    591.8126
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    589.0568: real time    594.0532

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3805876E-03  (-0.2222238E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014900 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.51267334
  -exchange      EXHF   =        33.17451032
  -V(xc)+E(xc)   XCENC  =       -83.57873374
  PAW double counting   =    100628.88845653  -100527.92500941
  entropy T*S    EENTRO =        -0.00359662
  eigenvalues    EBANDS =       -34.92518778
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90524421 eV

  energy without entropy =      -13.90164759  energy(sigma->0) =      -13.90404533
  exchange ACFDT corr.  =        -0.00372976  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2298: real time      1.2351
    TRIAL :  cpu time    592.4683: real time    597.4796
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2703: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    594.6951: real time    599.7200

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1659954E-03  (-0.1398623E-03)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0014794 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.49123862
  -exchange      EXHF   =        33.17478115
  -V(xc)+E(xc)   XCENC  =       -83.57864525
  PAW double counting   =    100660.04423142  -100559.08086222
  entropy T*S    EENTRO =        -0.00358603
  eigenvalues    EBANDS =       -34.94709248
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90541020 eV

  energy without entropy =      -13.90182418  energy(sigma->0) =      -13.90421486
  exchange ACFDT corr.  =        -0.00371251  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    592.0693: real time    597.0768
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    594.2961: real time    599.3174

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1053114E-03  (-0.9387012E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0014666 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.52276073
  -exchange      EXHF   =        33.17503843
  -V(xc)+E(xc)   XCENC  =       -83.57855380
  PAW double counting   =    100693.06858326  -100592.10523579
  entropy T*S    EENTRO =        -0.00358062
  eigenvalues    EBANDS =       -34.91601328
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90551551 eV

  energy without entropy =      -13.90193489  energy(sigma->0) =      -13.90432197
  exchange ACFDT corr.  =        -0.00370084  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2303: real time      1.2358
    TRIAL :  cpu time    588.0911: real time    593.0691
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    590.3179: real time    595.3098

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7610302E-04  (-0.5780342E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0014534 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.55567667
  -exchange      EXHF   =        33.17511917
  -V(xc)+E(xc)   XCENC  =       -83.57852369
  PAW double counting   =    100724.48058172  -100623.51720950
  entropy T*S    EENTRO =        -0.00357189
  eigenvalues    EBANDS =       -34.88331445
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90559162 eV

  energy without entropy =      -13.90201973  energy(sigma->0) =      -13.90440099
  exchange ACFDT corr.  =        -0.00369242  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7289
    SETDIJ:  cpu time      1.2304: real time      1.2357
    TRIAL :  cpu time    588.3623: real time    593.3562
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2705: real time      0.2727
    --------------------------------------------
      LOOP:  cpu time    590.5897: real time    595.5980

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4760787E-04  (-0.3625814E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0014406 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.54619636
  -exchange      EXHF   =        33.17499408
  -V(xc)+E(xc)   XCENC  =       -83.57856670
  PAW double counting   =    100752.26394126  -100651.30052123
  entropy T*S    EENTRO =        -0.00356121
  eigenvalues    EBANDS =       -34.89273080
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90563922 eV

  energy without entropy =      -13.90207801  energy(sigma->0) =      -13.90445215
  exchange ACFDT corr.  =        -0.00369295  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7285
    SETDIJ:  cpu time      1.2301: real time      1.2355
    TRIAL :  cpu time    591.6394: real time    596.6879
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2702: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    593.8664: real time    598.9286

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2782585E-04  (-0.1814016E-04)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0014292 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.51892197
  -exchange      EXHF   =        33.17481768
  -V(xc)+E(xc)   XCENC  =       -83.57862770
  PAW double counting   =    100776.91959332  -100675.95617207
  entropy T*S    EENTRO =        -0.00355298
  eigenvalues    EBANDS =       -34.91980752
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90566705 eV

  energy without entropy =      -13.90211407  energy(sigma->0) =      -13.90448272
  exchange ACFDT corr.  =        -0.00368336  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(  12)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7288
    SETDIJ:  cpu time      1.2304: real time      1.2357
    TRIAL :  cpu time    589.6933: real time    594.7203
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    591.9199: real time    596.9611

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1416820E-04  (-0.8439623E-05)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0014194 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.51000819
  -exchange      EXHF   =        33.17472538
  -V(xc)+E(xc)   XCENC  =       -83.57865687
  PAW double counting   =    100798.66111013  -100697.69768011
  entropy T*S    EENTRO =        -0.00354721
  eigenvalues    EBANDS =       -34.92863100
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90568122 eV

  energy without entropy =      -13.90213401  energy(sigma->0) =      -13.90449881
  exchange ACFDT corr.  =        -0.00366741  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     73(  13)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7281
    SETDIJ:  cpu time      1.2302: real time      1.2355
    TRIAL :  cpu time    592.4420: real time    597.5078
    CORREC:  cpu time      0.0039: real time      0.0040
    EDDIAG:  cpu time    591.3803: real time    596.3923
    CHARGE:  cpu time      0.2702: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time   1186.0496: real time   1196.1412

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6456030E-05  (-0.4137733E-05)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0014114 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.39562817
  -Hartree energ DENC   =      -685.51798756
  -exchange      EXHF   =        33.17471955
  -V(xc)+E(xc)   XCENC  =       -83.57865580
  PAW double counting   =    100817.74111312  -100716.77767861
  entropy T*S    EENTRO =        -0.00354200
  eigenvalues    EBANDS =       -34.92065839
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90568767 eV

  energy without entropy =      -13.90214568  energy(sigma->0) =      -13.90450701
  exchange ACFDT corr.  =        -0.00366163  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9619


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8899       2 -69.7846       3 -69.7926       4 -69.7904       5 -69.8968
 
 
 
 E-fermi :   3.1669     XC(G=0):  -5.1324     alpha+bet : -8.9779

 Fermi energy:         3.1669315221

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8359      1.00000
      2      -9.9325      1.00000
      3      -8.5905      1.00000
      4      -6.7684      1.00000
      5      -4.3813      1.00000
      6      -1.6076      1.00000
      7       1.5407      1.00000
      8       4.5619     -0.00000
      9       5.3925     -0.00000
     10       7.9153     -0.00000
     11       7.9469     -0.00000
     12      11.8773      0.00000
     13      12.1528      0.00000
     14      16.1147      0.00000
     15      16.1171      0.00000
     16      16.1214      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7568      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7569      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7596      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01676
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5611      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01676
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5611      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01676
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5613      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7895      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7894      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7891      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0577      0.00000
     16      12.6143      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0577      0.00000
     16      12.6142      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0577      0.00000
     16      12.6144      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0190      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0334      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0443      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8160      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8181      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8182      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8208      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8291      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8329      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6445      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6445      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6446      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40323
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2047     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40325
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2047     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8065      1.00000
      2      -0.8049      1.00000
      3      -0.7730      1.00000
      4       0.0369      1.00000
      5       0.1215      1.00000
      6       0.1241      1.00000
      7       1.1317      1.00000
      8       1.1339      1.00000
      9       1.8184      1.00000
     10       2.6846      1.00171
     11       4.0849     -0.00000
     12       4.0891     -0.00000
     13       5.9461     -0.00000
     14       5.9518     -0.00000
     15       6.0136     -0.00000
     16       8.0073     -0.00000
 Fermi energy:         3.1669315221

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8359      1.00000
      2      -9.9325      1.00000
      3      -8.5905      1.00000
      4      -6.7684      1.00000
      5      -4.3813      1.00000
      6      -1.6076      1.00000
      7       1.5407      1.00000
      8       4.5619     -0.00000
      9       5.3925     -0.00000
     10       7.9153     -0.00000
     11       7.9469     -0.00000
     12      11.8773      0.00000
     13      12.1528      0.00000
     14      16.1147      0.00000
     15      16.1164      0.00000
     16      16.1214      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6273      1.00000
      2      -9.7232      1.00000
      3      -8.3802      1.00000
      4      -6.5564      1.00000
      5      -4.1652      1.00000
      6      -1.3974      1.00000
      7       1.7545      1.00000
      8       4.7451     -0.00000
      9       5.5670     -0.00000
     10       8.0835     -0.00000
     11       8.1125     -0.00000
     12      12.0111      0.00000
     13      12.2528      0.00000
     14      13.1683      0.00000
     15      13.9031      0.00000
     16      14.3783      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7574      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7568      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0013      1.00000
      2      -9.0953      1.00000
      3      -7.7490      1.00000
      4      -5.9203      1.00000
      5      -3.5180      1.00000
      6      -0.7674      1.00000
      7       2.3831      1.00000
      8       5.2794     -0.00000
      9       6.0854     -0.00000
     10       8.4693     -0.00000
     11       8.6020     -0.00000
     12       9.7667      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4822      0.00000
     16      12.7565      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01676
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5611      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01677
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5613      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9573      1.00000
      2      -8.0477      1.00000
      3      -6.6959      1.00000
      4      -4.8600      1.00000
      5      -2.4449      1.00000
      6       0.2724      1.00000
      7       3.3521     -0.01676
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9090     -0.00000
     11       7.0362     -0.00000
     12       8.0945     -0.00000
     13       9.3888      0.00000
     14       9.5602      0.00000
     15       9.7875      0.00000
     16      11.5611      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7893      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7893      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4932      1.00000
      2      -6.5780      1.00000
      3      -5.2192      1.00000
      4      -3.3791      1.00000
      5      -0.9754      1.00000
      6       1.5777      1.00000
      7       2.5987      1.00023
      8       3.5793     -0.00641
      9       4.8245     -0.00000
     10       5.0801     -0.00000
     11       6.5203     -0.00000
     12       7.5928     -0.00000
     13       8.1953     -0.00000
     14       8.6747      0.00000
     15      10.4988      0.00000
     16      10.7890      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6049      1.00000
      2      -4.6837      1.00000
      3      -3.3239      1.00000
      4      -1.5212      1.00000
      5      -0.6063      1.00000
      6       0.1614      1.00000
      7       1.1100      1.00000
      8       2.0329      1.00000
      9       3.6456     -0.00182
     10       3.7309     -0.00024
     11       5.8955     -0.00000
     12       6.6484     -0.00000
     13       8.2187     -0.00000
     14       9.1471      0.00000
     15       9.7366      0.00000
     16      10.4586      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3025      1.00000
      2      -3.2838      1.00000
      3      -2.3816      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8707      1.00000
      7       0.6400      1.00000
      8       1.3739      1.00000
      9       3.3499     -0.01455
     10       3.4803     -0.02426
     11       5.6678     -0.00000
     12       6.0020     -0.00000
     13       8.3474     -0.00000
     14       8.8198      0.00000
     15      10.2910      0.00000
     16      10.5256      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0577      0.00000
     16      12.6143      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0577      0.00000
     16      12.6141      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2100      1.00000
      2      -9.3047      1.00000
      3      -7.9595      1.00000
      4      -6.1324      1.00000
      5      -3.7336      1.00000
      6      -0.9772      1.00000
      7       2.1761      1.00000
      8       5.1055     -0.00000
      9       5.9139     -0.00000
     10       8.4101     -0.00000
     11       8.4237     -0.00000
     12      11.4805      0.00000
     13      11.4962      0.00000
     14      11.9225      0.00000
     15      12.0576      0.00000
     16      12.6155      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3751      1.00000
      2      -8.4670      1.00000
      3      -7.1174      1.00000
      4      -5.2841      1.00000
      5      -2.8730      1.00000
      6      -0.1406      1.00000
      7       2.9871      1.00983
      8       5.7665     -0.00000
      9       6.5846     -0.00000
     10       7.9061     -0.00000
     11       8.6311      0.00000
     12       8.9936      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2198      0.00000
     16      10.7719      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9958      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1213      1.00000
      2      -7.2085      1.00000
      3      -5.8524      1.00000
      4      -4.0126      1.00000
      5      -1.5961      1.00000
      6       1.0811      1.00000
      7       3.8082     -0.00003
      8       4.6981     -0.00000
      9       5.4442     -0.00000
     10       6.5340     -0.00000
     11       7.0410     -0.00000
     12       7.6796     -0.00000
     13       8.1827     -0.00000
     14       8.9447      0.00000
     15       9.6378      0.00000
     16       9.9957      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4454      1.00000
      2      -5.5264      1.00000
      3      -4.1648      1.00000
      4      -2.3309      1.00000
      5      -0.0143      1.00000
      6       1.0601      1.00000
      7       2.0264      1.00000
      8       2.9896      1.00817
      9       3.5491     -0.01040
     10       5.1929     -0.00000
     11       5.8474     -0.00000
     12       7.3019     -0.00000
     13       7.9953     -0.00000
     14       8.6289      0.00000
     15       9.0869      0.00000
     16       9.1563      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3441      1.00000
      2      -3.4227      1.00000
      3      -2.0794      1.00000
      4      -1.8301      1.00000
      5      -0.9820      1.00000
      6      -0.3481      1.00000
      7       0.6642      1.00000
      8       2.2715      1.00000
      9       2.6406      1.00065
     10       4.7079     -0.00000
     11       4.8836     -0.00000
     12       7.0270     -0.00000
     13       7.4797     -0.00000
     14       8.0242     -0.00000
     15       8.8711      0.00000
     16       9.6768      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0188      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0260      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3305      1.00000
      2      -7.4185      1.00000
      3      -6.0635      1.00000
      4      -4.2242      1.00000
      5      -1.8063      1.00000
      6       0.8882      1.00000
      7       3.9005     -0.00000
      8       6.0384     -0.00000
      9       6.5451     -0.00000
     10       7.2628     -0.00000
     11       7.3220     -0.00000
     12       7.5399     -0.00000
     13       7.5877     -0.00000
     14       8.4091     -0.00000
     15       8.7671      0.00000
     16      10.0218      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8655      1.00000
      2      -5.9479      1.00000
      3      -4.5868      1.00000
      4      -2.7467      1.00000
      5      -0.3541      1.00000
      6       2.1643      1.00000
      7       3.1884      0.40620
      8       4.1544     -0.00000
      9       5.1041     -0.00000
     10       5.3907     -0.00000
     11       5.9216     -0.00000
     12       6.5036     -0.00000
     13       7.0214     -0.00000
     14       7.7651     -0.00000
     15       8.3694     -0.00000
     16       8.7398      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8136      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8149      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8182      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8187      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8229      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9765      1.00000
      2      -4.0541      1.00000
      3      -2.6952      1.00000
      4      -0.9024      1.00000
      5       0.0102      1.00000
      6       0.7634      1.00000
      7       1.7023      1.00000
      8       2.6070      1.00028
      9       4.0812     -0.00000
     10       4.2634     -0.00000
     11       4.9134     -0.00000
     12       5.7640     -0.00000
     13       6.6171     -0.00000
     14       7.3995     -0.00000
     15       7.4715     -0.00000
     16       8.8251      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6764      1.00000
      2      -2.6574      1.00000
      3      -1.7626      1.00000
      4      -1.7473      1.00000
      5      -0.6415      1.00000
      6      -0.2574      1.00000
      7       1.2411      1.00000
      8       1.9675      1.00000
      9       3.7554     -0.00013
     10       3.8802     -0.00000
     11       4.7577     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7469     -0.00000
     15       7.1486     -0.00000
     16       8.6699      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6445      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6445      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1874      1.00000
      2      -4.2651      1.00000
      3      -2.9035      1.00000
      4      -1.0864      1.00000
      5       1.1269      1.00000
      6       2.1590      1.00000
      7       2.3250      1.00000
      8       3.0422      0.92864
      9       3.4946     -0.02109
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8782     -0.00000
     13       6.2097     -0.00000
     14       6.8421     -0.00000
     15       7.1873     -0.00000
     16       8.6445      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40325
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40325
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40325
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2050     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40325
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0873      1.00000
      2      -2.1691      1.00000
      3      -0.8412      1.00000
      4      -0.5847      1.00000
      5       0.2417      1.00000
      6       0.8363      1.00000
      7       1.8058      1.00000
      8       1.8656      1.00000
      9       2.6042      1.00026
     10       3.1894      0.40324
     11       4.1140     -0.00000
     12       4.6676     -0.00000
     13       6.0347     -0.00000
     14       6.1392     -0.00000
     15       6.3368     -0.00000
     16       8.2048     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8065      1.00000
      2      -0.8049      1.00000
      3      -0.7730      1.00000
      4       0.0369      1.00000
      5       0.1215      1.00000
      6       0.1241      1.00000
      7       1.1317      1.00000
      8       1.1339      1.00000
      9       1.8184      1.00000
     10       2.6846      1.00171
     11       4.0849     -0.00000
     12       4.0891     -0.00000
     13       5.9461     -0.00000
     14       5.9518     -0.00000
     15       6.0136     -0.00000
     16       8.0076     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.935 -61.920  -0.000  -0.147   0.000   0.000  -0.011   0.000
-61.920  33.072   0.000   0.070  -0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.147   0.070  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7092: real time    427.7633
    FORNL :  cpu time      0.4998: real time      0.5059
    FORCOR:  cpu time      1.9511: real time      1.9629
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.136E-05 -.116E-05 0.180E+03   0.392E-13 0.256E-13 -.179E+03   -.130E-05 0.562E-06 -.106E+01
   -.226E-05 0.507E-06 0.910E+02   0.334E-14 0.477E-14 -.909E+02   0.768E-06 0.193E-06 -.587E-01
   0.113E-05 0.147E-06 -.158E+00   -.138E-12 -.791E-13 0.155E+00   -.874E-06 -.170E-06 0.940E-02
   -.370E-05 -.506E-05 -.912E+02   0.129E-12 0.836E-13 0.911E+02   0.296E-05 0.688E-05 0.769E-01
   -.197E-06 0.291E-05 -.180E+03   -.426E-13 -.318E-13 0.179E+03   0.730E-06 -.294E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.294E-05 -.233E-05 0.906E-02   -.971E-14 0.313E-14 0.284E-13   0.228E-05 0.453E-05 -.171E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.017925
      0.00000      0.00000      2.37677        -0.000001      0.000001      0.010202
      1.42873      0.82488      4.71224        -0.000000     -0.000001      0.007570
      2.85746      1.64976      7.05044        -0.000001      0.000001     -0.000245
      0.00000      0.00000      9.43528         0.000001     -0.000000      0.000399
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000002     -0.009108


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90568767 eV

  energy  without entropy=      -13.90214568  energy(sigma->0) =      -13.90450701
 
 d Force = 0.2887874E-03[ 0.926E-04, 0.485E-03]  d Energy = 0.3105251E-03-0.217E-04
 d Force = 0.4443419E+01[ 0.444E+01, 0.445E+01]  d Ewald  = 0.4443420E+01-0.482E-06


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9521: real time      1.9638


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.780E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  10.0994
 eigenvalue spectrum of G is 10.0994


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0778
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9529: real time      1.9656
    EDDIAG:  cpu time    595.6749: real time    600.6443
    CHARGE:  cpu time      0.2692: real time      0.2714
 writing wavefunctions
     LOOP+:  cpu time   9328.6320: real time   9407.4809


--------------------------------------- Iteration     74(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7287
    SETDIJ:  cpu time      1.2318: real time      1.2376
    TRIAL :  cpu time    590.8539: real time    595.9638
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2700: real time      0.2722
    --------------------------------------------
      LOOP:  cpu time    593.0925: real time    598.2173

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4902534E-03  (-0.2328604E-03)
 number of electron      15.0000000 magnetization      -0.0000006
 augmentation part       -0.0014026 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.33528096
  -exchange      EXHF   =        33.17759573
  -V(xc)+E(xc)   XCENC  =       -83.57770622
  PAW double counting   =    100842.72207094  -100741.75895493
  entropy T*S    EENTRO =        -0.00367456
  eigenvalues    EBANDS =       -35.13403092
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90519096 eV

  energy without entropy =      -13.90151640  energy(sigma->0) =      -13.90396611
  exchange ACFDT corr.  =        -0.00371359  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7289
    SETDIJ:  cpu time      1.2341: real time      1.2397
    TRIAL :  cpu time    589.2612: real time    594.2820
    CORREC:  cpu time      0.0036: real time      0.0037
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    591.4909: real time    596.5258

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1390514E-03  (-0.1858352E-03)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0013964 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.51693372
  -exchange      EXHF   =        33.17851487
  -V(xc)+E(xc)   XCENC  =       -83.57738755
  PAW double counting   =    100850.67558943  -100749.71251782
  entropy T*S    EENTRO =        -0.00367926
  eigenvalues    EBANDS =       -34.95369336
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90533002 eV

  energy without entropy =      -13.90165076  energy(sigma->0) =      -13.90410360
  exchange ACFDT corr.  =        -0.00372173  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    592.8295: real time    597.9075
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    595.0570: real time    600.1488

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1345343E-03  (-0.9661808E-04)
 number of electron      15.0000000 magnetization      -0.0000005
 augmentation part       -0.0013893 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.59038016
  -exchange      EXHF   =        33.17921427
  -V(xc)+E(xc)   XCENC  =       -83.57715231
  PAW double counting   =    100859.65194876  -100758.68886826
  entropy T*S    EENTRO =        -0.00367208
  eigenvalues    EBANDS =       -34.88132029
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90546455 eV

  energy without entropy =      -13.90179247  energy(sigma->0) =      -13.90424052
  exchange ACFDT corr.  =        -0.00372646  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7289
    SETDIJ:  cpu time      1.2321: real time      1.2375
    TRIAL :  cpu time    590.2738: real time    595.3087
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    592.5029: real time    597.5515

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7683221E-04  (-0.6083323E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0013829 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.54328121
  -exchange      EXHF   =        33.17944612
  -V(xc)+E(xc)   XCENC  =       -83.57708527
  PAW double counting   =    100867.66027499  -100766.69719172
  entropy T*S    EENTRO =        -0.00367008
  eigenvalues    EBANDS =       -34.92880491
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90554138 eV

  energy without entropy =      -13.90187131  energy(sigma->0) =      -13.90431802
  exchange ACFDT corr.  =        -0.00380872  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7288
    SETDIJ:  cpu time      1.2317: real time      1.2371
    TRIAL :  cpu time    591.2893: real time    596.3553
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2691: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    593.5177: real time    598.5974

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4167235E-04  (-0.3653081E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0013771 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.51113545
  -exchange      EXHF   =        33.17952134
  -V(xc)+E(xc)   XCENC  =       -83.57706946
  PAW double counting   =    100874.99650215  -100774.03337540
  entropy T*S    EENTRO =        -0.00367700
  eigenvalues    EBANDS =       -34.96112886
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90558305 eV

  energy without entropy =      -13.90190606  energy(sigma->0) =      -13.90435739
  exchange ACFDT corr.  =        -0.00372884  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2315: real time      1.2370
    TRIAL :  cpu time    591.8402: real time    596.8722
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time    594.0674: real time    599.1133

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2782916E-04  (-0.1733677E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0013718 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.53328375
  -exchange      EXHF   =        33.17958836
  -V(xc)+E(xc)   XCENC  =       -83.57704747
  PAW double counting   =    100882.28019743  -100781.31705683
  entropy T*S    EENTRO =        -0.00368360
  eigenvalues    EBANDS =       -34.93910432
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90561088 eV

  energy without entropy =      -13.90192729  energy(sigma->0) =      -13.90438302
  exchange ACFDT corr.  =        -0.00373253  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2302: real time      1.2357
    TRIAL :  cpu time    593.1214: real time    598.2081
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    595.3481: real time    600.4486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1362975E-04  (-0.1178098E-04)
 number of electron      15.0000000 magnetization      -0.0000004
 augmentation part       -0.0013668 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.55250880
  -exchange      EXHF   =        33.17958343
  -V(xc)+E(xc)   XCENC  =       -83.57704638
  PAW double counting   =    100889.08719815  -100788.12403622
  entropy T*S    EENTRO =        -0.00368512
  eigenvalues    EBANDS =       -34.91990379
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90562451 eV

  energy without entropy =      -13.90193939  energy(sigma->0) =      -13.90439614
  exchange ACFDT corr.  =        -0.00373564  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     74(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7285
    SETDIJ:  cpu time      1.2321: real time      1.2375
    TRIAL :  cpu time    592.9439: real time    598.0015
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.1841: real time    596.1620
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time   1186.3569: real time   1196.4062

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8729970E-05  (-0.7272639E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0013623 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       388.42338846
  -Hartree energ DENC   =      -686.54008755
  -exchange      EXHF   =        33.17943828
  -V(xc)+E(xc)   XCENC  =       -83.57707251
  PAW double counting   =    100895.17668869  -100794.21353262
  entropy T*S    EENTRO =        -0.00368496
  eigenvalues    EBANDS =       -34.93221959
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90563324 eV

  energy without entropy =      -13.90194828  energy(sigma->0) =      -13.90440492
  exchange ACFDT corr.  =        -0.00373687  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9079


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8975       2 -69.7867       3 -69.7887       4 -69.7851       5 -69.8918
 
 
 
 E-fermi :   3.1643     XC(G=0):  -5.1315     alpha+bet : -8.9779

 Fermi energy:         3.1642933809

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8392      1.00000
      2      -9.9333      1.00000
      3      -8.5910      1.00000
      4      -6.7695      1.00000
      5      -4.3780      1.00000
      6      -1.6067      1.00000
      7       1.5459      1.00000
      8       4.5647     -0.00000
      9       5.3936     -0.00000
     10       7.9157     -0.00000
     11       7.9491     -0.00000
     12      11.8775      0.00000
     13      12.1550      0.00000
     14      16.1112      0.00000
     15      16.1138      0.00000
     16      16.1185      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4831      0.00000
     16      12.7566      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4831      0.00000
     16      12.7567      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4832      0.00000
     16      12.7592      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5634      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5634      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5636      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7909      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7908      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7906      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6145      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6143      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6147      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0196      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0333      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0436      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8163      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8185      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8182      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8221      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8284      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8328      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6466      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6466      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6467      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2066     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39927
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2066     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8106      1.00000
      2      -0.8080      1.00000
      3      -0.7772      1.00000
      4       0.0351      1.00000
      5       0.1200      1.00000
      6       0.1243      1.00000
      7       1.1298      1.00000
      8       1.1348      1.00000
      9       1.8176      1.00000
     10       2.6830      1.00173
     11       4.0857     -0.00000
     12       4.0865     -0.00000
     13       5.9490     -0.00000
     14       5.9539     -0.00000
     15       6.0183     -0.00000
     16       8.0075     -0.00000
 Fermi energy:         3.1642933809

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8392      1.00000
      2      -9.9333      1.00000
      3      -8.5910      1.00000
      4      -6.7695      1.00000
      5      -4.3780      1.00000
      6      -1.6067      1.00000
      7       1.5459      1.00000
      8       4.5647     -0.00000
      9       5.3936     -0.00000
     10       7.9157     -0.00000
     11       7.9491     -0.00000
     12      11.8775      0.00000
     13      12.1550      0.00000
     14      16.1112      0.00000
     15      16.1132      0.00000
     16      16.1185      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6305      1.00000
      2      -9.7240      1.00000
      3      -8.3807      1.00000
      4      -6.5575      1.00000
      5      -4.1620      1.00000
      6      -1.3965      1.00000
      7       1.7596      1.00000
      8       4.7480     -0.00000
      9       5.5681     -0.00000
     10       8.0840     -0.00000
     11       8.1148     -0.00000
     12      12.0111      0.00000
     13      12.2547      0.00000
     14      13.1657      0.00000
     15      13.9023      0.00000
     16      14.3750      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4831      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4831      0.00000
     16      12.7566      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0046      1.00000
      2      -9.0961      1.00000
      3      -7.7496      1.00000
      4      -5.9215      1.00000
      5      -3.5148      1.00000
      6      -0.7666      1.00000
      7       2.3881      1.00000
      8       5.2822     -0.00000
      9       6.0864     -0.00000
     10       8.4698     -0.00000
     11       8.6032     -0.00000
     12       9.7646      0.00000
     13      10.3273      0.00000
     14      11.4041      0.00000
     15      12.4831      0.00000
     16      12.7565      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5634      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5636      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9607      1.00000
      2      -8.0485      1.00000
      3      -6.6964      1.00000
      4      -4.8612      1.00000
      5      -2.4417      1.00000
      6       0.2732      1.00000
      7       3.3565     -0.01997
      8       5.6613     -0.00000
      9       6.5287     -0.00000
     10       6.9087     -0.00000
     11       7.0370     -0.00000
     12       8.0940     -0.00000
     13       9.3891      0.00000
     14       9.5608      0.00000
     15       9.7882      0.00000
     16      11.5635      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7907      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7907      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4966      1.00000
      2      -6.5788      1.00000
      3      -5.2198      1.00000
      4      -3.3803      1.00000
      5      -0.9724      1.00000
      6       1.5778      1.00000
      7       2.5954      1.00021
      8       3.5785     -0.00637
      9       4.8247     -0.00000
     10       5.0841     -0.00000
     11       6.5190     -0.00000
     12       7.5952     -0.00000
     13       8.1964     -0.00000
     14       8.6777      0.00000
     15      10.4996      0.00000
     16      10.7905      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6085      1.00000
      2      -4.6846      1.00000
      3      -3.3245      1.00000
      4      -1.5226      1.00000
      5      -0.6102      1.00000
      6       0.1613      1.00000
      7       1.1113      1.00000
      8       2.0331      1.00000
      9       3.6446     -0.00180
     10       3.7314     -0.00023
     11       5.8983     -0.00000
     12       6.6530     -0.00000
     13       8.2199     -0.00000
     14       9.1491      0.00000
     15       9.7375      0.00000
     16      10.4552      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3061      1.00000
      2      -3.2877      1.00000
      3      -2.3823      1.00000
      4      -2.3766      1.00000
      5      -1.2565      1.00000
      6      -0.8714      1.00000
      7       0.6385      1.00000
      8       1.3730      1.00000
      9       3.3524     -0.01737
     10       3.4840     -0.02342
     11       5.6679     -0.00000
     12       6.0032     -0.00000
     13       8.3522     -0.00000
     14       8.8229      0.00000
     15      10.2876      0.00000
     16      10.5261      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6145      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6143      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2133      1.00000
      2      -9.3055      1.00000
      3      -7.9600      1.00000
      4      -6.1335      1.00000
      5      -3.7304      1.00000
      6      -0.9763      1.00000
      7       2.1812      1.00000
      8       5.1083     -0.00000
      9       5.9150     -0.00000
     10       8.4104     -0.00000
     11       8.4258     -0.00000
     12      11.4771      0.00000
     13      11.4930      0.00000
     14      11.9220      0.00000
     15      12.0577      0.00000
     16      12.6155      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3784      1.00000
      2      -8.4678      1.00000
      3      -7.1179      1.00000
      4      -5.2853      1.00000
      5      -2.8698      1.00000
      6      -0.1398      1.00000
      7       2.9919      1.00522
      8       5.7690     -0.00000
      9       6.5855     -0.00000
     10       7.9031     -0.00000
     11       8.6312      0.00000
     12       8.9939      0.00000
     13       9.4110      0.00000
     14       9.8624      0.00000
     15      10.2176      0.00000
     16      10.7708      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1247      1.00000
      2      -7.2093      1.00000
      3      -5.8530      1.00000
      4      -4.0138      1.00000
      5      -1.5929      1.00000
      6       1.0818      1.00000
      7       3.8087     -0.00003
      8       4.6977     -0.00000
      9       5.4443     -0.00000
     10       6.5337     -0.00000
     11       7.0428     -0.00000
     12       7.6806     -0.00000
     13       8.1815     -0.00000
     14       8.9417      0.00000
     15       9.6376      0.00000
     16       9.9987      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4489      1.00000
      2      -5.5272      1.00000
      3      -4.1654      1.00000
      4      -2.3322      1.00000
      5      -0.0118      1.00000
      6       1.0567      1.00000
      7       2.0255      1.00000
      8       2.9901      1.00666
      9       3.5487     -0.01033
     10       5.1917     -0.00000
     11       5.8515     -0.00000
     12       7.3041     -0.00000
     13       7.9948     -0.00000
     14       8.6295      0.00000
     15       9.0881      0.00000
     16       9.1563      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3478      1.00000
      2      -3.4236      1.00000
      3      -2.0800      1.00000
      4      -1.8340      1.00000
      5      -0.9831      1.00000
      6      -0.3491      1.00000
      7       0.6636      1.00000
      8       2.2722      1.00000
      9       2.6417      1.00067
     10       4.7106     -0.00000
     11       4.8844     -0.00000
     12       7.0271     -0.00000
     13       7.4810     -0.00000
     14       8.0241     -0.00000
     15       8.8718      0.00000
     16       9.6786      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0194      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0262      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3339      1.00000
      2      -7.4194      1.00000
      3      -6.0641      1.00000
      4      -4.2255      1.00000
      5      -1.8031      1.00000
      6       0.8889      1.00000
      7       3.9044     -0.00000
      8       6.0374     -0.00000
      9       6.5423     -0.00000
     10       7.2615     -0.00000
     11       7.3218     -0.00000
     12       7.5396     -0.00000
     13       7.5888     -0.00000
     14       8.4086     -0.00000
     15       8.7665      0.00000
     16      10.0222      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8690      1.00000
      2      -5.9488      1.00000
      3      -4.5874      1.00000
      4      -2.7479      1.00000
      5      -0.3511      1.00000
      6       2.1644      1.00000
      7       3.1851      0.41775
      8       4.1536     -0.00000
      9       5.1037     -0.00000
     10       5.3900     -0.00000
     11       5.9217     -0.00000
     12       6.5039     -0.00000
     13       7.0208     -0.00000
     14       7.7652     -0.00000
     15       8.3710     -0.00000
     16       8.7409      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8148      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8153      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8185      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8195      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8227      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9801      1.00000
      2      -4.0550      1.00000
      3      -2.6958      1.00000
      4      -0.9038      1.00000
      5       0.0063      1.00000
      6       0.7633      1.00000
      7       1.7035      1.00000
      8       2.6071      1.00029
      9       4.0804     -0.00000
     10       4.2630     -0.00000
     11       4.9106     -0.00000
     12       5.7639     -0.00000
     13       6.6185     -0.00000
     14       7.4009     -0.00000
     15       7.4754     -0.00000
     16       8.8261      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6801      1.00000
      2      -2.6614      1.00000
      3      -1.7639      1.00000
      4      -1.7480      1.00000
      5      -0.6420      1.00000
      6      -0.2581      1.00000
      7       1.2396      1.00000
      8       1.9666      1.00000
      9       3.7574     -0.00011
     10       3.8820     -0.00000
     11       4.7560     -0.00000
     12       5.7874     -0.00000
     13       6.3897     -0.00000
     14       6.7481     -0.00000
     15       7.1484     -0.00000
     16       8.6693      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6466      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6466      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1910      1.00000
      2      -4.2660      1.00000
      3      -2.9041      1.00000
      4      -1.0878      1.00000
      5       1.1290      1.00000
      6       2.1557      1.00000
      7       2.3215      1.00000
      8       3.0407      0.92950
      9       3.4941     -0.02091
     10       4.2512     -0.00000
     11       4.4962     -0.00000
     12       4.8777     -0.00000
     13       6.2084     -0.00000
     14       6.8417     -0.00000
     15       7.1918     -0.00000
     16       8.6466      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39927
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39927
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2068     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39926
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0910      1.00000
      2      -2.1701      1.00000
      3      -0.8419      1.00000
      4      -0.5886      1.00000
      5       0.2406      1.00000
      6       0.8352      1.00000
      7       1.8035      1.00000
      8       1.8637      1.00000
      9       2.6038      1.00027
     10       3.1889      0.39927
     11       4.1153     -0.00000
     12       4.6676     -0.00000
     13       6.0357     -0.00000
     14       6.1395     -0.00000
     15       6.3383     -0.00000
     16       8.2067     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8106      1.00000
      2      -0.8080      1.00000
      3      -0.7772      1.00000
      4       0.0351      1.00000
      5       0.1200      1.00000
      6       0.1243      1.00000
      7       1.1298      1.00000
      8       1.1348      1.00000
      9       1.8176      1.00000
     10       2.6830      1.00173
     11       4.0857     -0.00000
     12       4.0865     -0.00000
     13       5.9490     -0.00000
     14       5.9539     -0.00000
     15       6.0183     -0.00000
     16       8.0078     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880   0.000   0.000   5.468  -0.000
  0.000   0.000   0.000   0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.938 -61.922   0.000  -0.147   0.000  -0.000  -0.011  -0.000
-61.922  33.073  -0.000   0.070  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.147   0.070  -0.000   1.699   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7977: real time    427.8281
    FORNL :  cpu time      0.4974: real time      0.5045
    FORCOR:  cpu time      1.9537: real time      1.9652
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.166E-05 0.156E-05 0.180E+03   0.420E-13 0.261E-13 -.179E+03   -.175E-05 -.197E-05 -.106E+01
   -.479E-06 0.163E-05 0.911E+02   -.221E-14 0.515E-14 -.911E+02   -.655E-07 -.589E-06 -.657E-01
   -.982E-06 -.268E-05 -.168E+00   -.132E-12 -.819E-13 0.157E+00   0.100E-05 0.178E-05 0.208E-01
   0.733E-06 0.119E-05 -.913E+02   0.124E-12 0.757E-13 0.912E+02   -.131E-05 -.112E-05 0.100E+00
   0.179E-05 -.342E-05 -.180E+03   -.415E-13 -.220E-13 0.179E+03   -.154E-05 0.352E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.307E-05 -.170E-05 -.119E-01   -.971E-14 0.313E-14 -.284E-13   -.366E-05 0.162E-05 0.289E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.025268
      0.00000      0.00000      2.37673        -0.000000      0.000001     -0.001246
      1.42873      0.82488      4.71028        -0.000001     -0.000001      0.005548
      2.85746      1.64976      7.04666         0.000000      0.000001      0.010506
      0.00000      0.00000      9.43143         0.000000     -0.000000      0.010460
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000      0.019468


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90563324 eV

  energy  without entropy=      -13.90194828  energy(sigma->0) =      -13.90440492
 
 d Force =-0.5328945E-04[-0.907E-04,-0.159E-04]  d Energy =-0.5443026E-04 0.114E-05
 d Force =-0.1027760E+01[-0.103E+01,-0.103E+01]  d Ewald  =-0.1027760E+01 0.609E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9507: real time      1.9627


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.122E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.4080
 eigenvalue spectrum of G is  4.4080


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0756
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0846: real time      0.0850
    POTLOK:  cpu time      1.9498: real time      1.9622
    EDDIAG:  cpu time    596.0490: real time    601.0569
    CHARGE:  cpu time      0.2688: real time      0.2711
 writing wavefunctions
     LOOP+:  cpu time   6369.9321: real time   6423.8501


--------------------------------------- Iteration     75(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7247: real time      0.7308
    SETDIJ:  cpu time      1.2295: real time      1.2353
    TRIAL :  cpu time    593.0830: real time    598.1478
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    595.3203: real time    600.4001

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1483323E-03  (-0.1246194E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013753 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -686.07077520
  -exchange      EXHF   =        33.17776054
  -V(xc)+E(xc)   XCENC  =       -83.57762289
  PAW double counting   =    100887.13610587  -100786.17275200
  entropy T*S    EENTRO =        -0.00359746
  eigenvalues    EBANDS =       -34.72712844
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90547618 eV

  energy without entropy =      -13.90187872  energy(sigma->0) =      -13.90427703
  exchange ACFDT corr.  =        -0.00370600  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     75(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2291: real time      1.2343
    TRIAL :  cpu time    589.4763: real time    594.5709
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    591.7006: real time    596.8087

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8741973E-04  (-0.8255323E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013738 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -685.86967103
  -exchange      EXHF   =        33.17687719
  -V(xc)+E(xc)   XCENC  =       -83.57793999
  PAW double counting   =    100886.18392652  -100785.22054427
  entropy T*S    EENTRO =        -0.00359380
  eigenvalues    EBANDS =       -34.92716798
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90556360 eV

  energy without entropy =      -13.90196980  energy(sigma->0) =      -13.90436567
  exchange ACFDT corr.  =        -0.00372661  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     75(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2297: real time      1.2351
    TRIAL :  cpu time    587.2699: real time    592.3427
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    589.4956: real time    594.5832

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6174191E-04  (-0.5577834E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013728 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -685.79523308
  -exchange      EXHF   =        33.17624542
  -V(xc)+E(xc)   XCENC  =       -83.57815914
  PAW double counting   =    100888.23876416  -100787.27538431
  entropy T*S    EENTRO =        -0.00360385
  eigenvalues    EBANDS =       -35.00081803
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90562534 eV

  energy without entropy =      -13.90202149  energy(sigma->0) =      -13.90442406
  exchange ACFDT corr.  =        -0.00369296  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     75(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2299: real time      1.2354
    TRIAL :  cpu time    593.3476: real time    598.4690
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    595.5744: real time    600.7095

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3790243E-04  (-0.1875231E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013725 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -685.85654103
  -exchange      EXHF   =        33.17610995
  -V(xc)+E(xc)   XCENC  =       -83.57819697
  PAW double counting   =    100892.98637270  -100792.02303206
  entropy T*S    EENTRO =        -0.00360756
  eigenvalues    EBANDS =       -34.93932542
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90566325 eV

  energy without entropy =      -13.90205569  energy(sigma->0) =      -13.90446073
  exchange ACFDT corr.  =        -0.00369332  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     75(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7286
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    588.1455: real time    593.2207
    CORREC:  cpu time      0.0036: real time      0.0036
    CHARGE:  cpu time      0.2702: real time      0.2728
    --------------------------------------------
      LOOP:  cpu time    590.3731: real time    595.4625

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1097254E-04  (-0.8544434E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013719 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -685.89712773
  -exchange      EXHF   =        33.17614624
  -V(xc)+E(xc)   XCENC  =       -83.57818115
  PAW double counting   =    100898.17700159  -100797.21368434
  entropy T*S    EENTRO =        -0.00360178
  eigenvalues    EBANDS =       -34.89877470
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90567422 eV

  energy without entropy =      -13.90207243  energy(sigma->0) =      -13.90447362
  exchange ACFDT corr.  =        -0.00369264  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     75(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    594.0100: real time    599.1311
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.9711: real time    595.9349
    CHARGE:  cpu time      0.2691: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time   1187.2074: real time   1197.3059

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5157533E-05  (-0.2896298E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013704 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.75116919
  -Hartree energ DENC   =      -685.87502079
  -exchange      EXHF   =        33.17616871
  -V(xc)+E(xc)   XCENC  =       -83.57818210
  PAW double counting   =    100903.00700609  -100802.04370741
  entropy T*S    EENTRO =        -0.00359643
  eigenvalues    EBANDS =       -34.92087623
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90567938 eV

  energy without entropy =      -13.90208294  energy(sigma->0) =      -13.90448056
  exchange ACFDT corr.  =        -0.00372788  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0191


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8929       2 -69.7842       3 -69.7895       4 -69.7877       5 -69.8970
 
 
 
 E-fermi :   3.1662     XC(G=0):  -5.1322     alpha+bet : -8.9779

 Fermi energy:         3.1662319601

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8364      1.00000
      2      -9.9324      1.00000
      3      -8.5906      1.00000
      4      -6.7690      1.00000
      5      -4.3800      1.00000
      6      -1.6072      1.00000
      7       1.5426      1.00000
      8       4.5627     -0.00000
      9       5.3922     -0.00000
     10       7.9153     -0.00000
     11       7.9471     -0.00000
     12      11.8768      0.00000
     13      12.1536      0.00000
     14      16.1142      0.00000
     15      16.1166      0.00000
     16      16.1210      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0105      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0106      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0105      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7565      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7566      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7589      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5621      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5621      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5623      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4989      0.00000
     16      10.7897      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4988      0.00000
     16      10.7896      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4989      0.00000
     16      10.7894      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6140      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6139      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6141      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0414     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0414     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0186      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0325      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0432      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8161      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8180      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8180      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8211      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8282      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8323      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6452      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6452      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6453      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2055     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40172
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40172
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2055     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2054     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8071      1.00000
      2      -0.8053      1.00000
      3      -0.7739      1.00000
      4       0.0367      1.00000
      5       0.1215      1.00000
      6       0.1244      1.00000
      7       1.1315      1.00000
      8       1.1343      1.00000
      9       1.8179      1.00000
     10       2.6837      1.00171
     11       4.0852     -0.00000
     12       4.0877     -0.00000
     13       5.9471     -0.00000
     14       5.9526     -0.00000
     15       6.0158     -0.00000
     16       8.0073     -0.00000
 Fermi energy:         3.1662319601

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8364      1.00000
      2      -9.9324      1.00000
      3      -8.5906      1.00000
      4      -6.7690      1.00000
      5      -4.3800      1.00000
      6      -1.6072      1.00000
      7       1.5426      1.00000
      8       4.5627     -0.00000
      9       5.3922     -0.00000
     10       7.9153     -0.00000
     11       7.9471     -0.00000
     12      11.8768      0.00000
     13      12.1536      0.00000
     14      16.1142      0.00000
     15      16.1160      0.00000
     16      16.1210      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0105      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0105      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6277      1.00000
      2      -9.7231      1.00000
      3      -8.3803      1.00000
      4      -6.5570      1.00000
      5      -4.1639      1.00000
      6      -1.3970      1.00000
      7       1.7564      1.00000
      8       4.7459     -0.00000
      9       5.5667     -0.00000
     10       8.0836     -0.00000
     11       8.1128     -0.00000
     12      12.0105      0.00000
     13      12.2536      0.00000
     14      13.1681      0.00000
     15      13.9032      0.00000
     16      14.3778      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7571      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7565      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0018      1.00000
      2      -9.0952      1.00000
      3      -7.7491      1.00000
      4      -5.9209      1.00000
      5      -3.5167      1.00000
      6      -0.7670      1.00000
      7       2.3849      1.00000
      8       5.2802     -0.00000
      9       6.0851     -0.00000
     10       8.4693     -0.00000
     11       8.6021     -0.00000
     12       9.7665      0.00000
     13      10.3284      0.00000
     14      11.4044      0.00000
     15      12.4821      0.00000
     16      12.7563      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5621      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5622      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9578      1.00000
      2      -8.0476      1.00000
      3      -6.6960      1.00000
      4      -4.8606      1.00000
      5      -2.4436      1.00000
      6       0.2728      1.00000
      7       3.3538     -0.01786
      8       5.6622     -0.00000
      9       6.5286     -0.00000
     10       6.9093     -0.00000
     11       7.0359     -0.00000
     12       8.0944     -0.00000
     13       9.3886      0.00000
     14       9.5603      0.00000
     15       9.7874      0.00000
     16      11.5621      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4989      0.00000
     16      10.7895      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4989      0.00000
     16      10.7895      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4937      1.00000
      2      -6.5779      1.00000
      3      -5.2193      1.00000
      4      -3.3797      1.00000
      5      -0.9742      1.00000
      6       1.5780      1.00000
      7       2.5981      1.00022
      8       3.5794     -0.00637
      9       4.8246     -0.00000
     10       5.0817     -0.00000
     11       6.5196     -0.00000
     12       7.5935     -0.00000
     13       8.1950     -0.00000
     14       8.6759      0.00000
     15      10.4989      0.00000
     16      10.7893      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6055      1.00000
      2      -4.6836      1.00000
      3      -3.3240      1.00000
      4      -1.5219      1.00000
      5      -0.6070      1.00000
      6       0.1618      1.00000
      7       1.1106      1.00000
      8       2.0330      1.00000
      9       3.6450     -0.00182
     10       3.7312     -0.00024
     11       5.8967     -0.00000
     12       6.6501     -0.00000
     13       8.2192     -0.00000
     14       9.1476      0.00000
     15       9.7362      0.00000
     16      10.4581      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3031      1.00000
      2      -3.2845      1.00000
      3      -2.3814      1.00000
      4      -2.3753      1.00000
      5      -1.2559      1.00000
      6      -0.8709      1.00000
      7       0.6392      1.00000
      8       1.3734      1.00000
      9       3.3507     -0.01550
     10       3.4820     -0.02394
     11       5.6678     -0.00000
     12       6.0025     -0.00000
     13       8.3492     -0.00000
     14       8.8210      0.00000
     15      10.2905      0.00000
     16      10.5258      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6140      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6138      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2105      1.00000
      2      -9.3046      1.00000
      3      -7.9596      1.00000
      4      -6.1330      1.00000
      5      -3.7323      1.00000
      6      -0.9768      1.00000
      7       2.1780      1.00000
      8       5.1063     -0.00000
      9       5.9136     -0.00000
     10       8.4101     -0.00000
     11       8.4239     -0.00000
     12      11.4800      0.00000
     13      11.4956      0.00000
     14      11.9226      0.00000
     15      12.0578      0.00000
     16      12.6151      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3756      1.00000
      2      -8.4669      1.00000
      3      -7.1175      1.00000
      4      -5.2847      1.00000
      5      -2.8717      1.00000
      6      -0.1402      1.00000
      7       2.9889      1.00836
      8       5.7672     -0.00000
      9       6.5843     -0.00000
     10       7.9055     -0.00000
     11       8.6316      0.00000
     12       8.9935      0.00000
     13       9.4106      0.00000
     14       9.8626      0.00000
     15      10.2196      0.00000
     16      10.7718      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0414     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0415     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1218      1.00000
      2      -7.2084      1.00000
      3      -5.8526      1.00000
      4      -4.0132      1.00000
      5      -1.5948      1.00000
      6       1.0815      1.00000
      7       3.8087     -0.00003
      8       4.6983     -0.00000
      9       5.4446     -0.00000
     10       6.5340     -0.00000
     11       7.0414     -0.00000
     12       7.6793     -0.00000
     13       8.1821     -0.00000
     14       8.9441      0.00000
     15       9.6381      0.00000
     16       9.9967      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4460      1.00000
      2      -5.5263      1.00000
      3      -4.1649      1.00000
      4      -2.3315      1.00000
      5      -0.0132      1.00000
      6       1.0596      1.00000
      7       2.0264      1.00000
      8       2.9899      1.00766
      9       3.5491     -0.01036
     10       5.1923     -0.00000
     11       5.8489     -0.00000
     12       7.3029     -0.00000
     13       7.9953     -0.00000
     14       8.6292      0.00000
     15       9.0867      0.00000
     16       9.1566      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3448      1.00000
      2      -3.4226      1.00000
      3      -2.0795      1.00000
      4      -1.8308      1.00000
      5      -0.9820      1.00000
      6      -0.3485      1.00000
      7       0.6640      1.00000
      8       2.2716      1.00000
      9       2.6411      1.00065
     10       4.7091     -0.00000
     11       4.8839     -0.00000
     12       7.0272     -0.00000
     13       7.4804     -0.00000
     14       8.0244     -0.00000
     15       8.8717      0.00000
     16       9.6773      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0184      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0253      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3311      1.00000
      2      -7.4185      1.00000
      3      -6.0636      1.00000
      4      -4.2249      1.00000
      5      -1.8050      1.00000
      6       0.8886      1.00000
      7       3.9020     -0.00000
      8       6.0384     -0.00000
      9       6.5446     -0.00000
     10       7.2625     -0.00000
     11       7.3224     -0.00000
     12       7.5400     -0.00000
     13       7.5876     -0.00000
     14       8.4090     -0.00000
     15       8.7669      0.00000
     16      10.0213      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8661      1.00000
      2      -5.9478      1.00000
      3      -4.5869      1.00000
      4      -2.7473      1.00000
      5      -0.3528      1.00000
      6       2.1646      1.00000
      7       3.1878      0.41035
      8       4.1545     -0.00000
      9       5.1044     -0.00000
     10       5.3906     -0.00000
     11       5.9220     -0.00000
     12       6.5040     -0.00000
     13       7.0211     -0.00000
     14       7.7651     -0.00000
     15       8.3697     -0.00000
     16       8.7395      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8141      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8150      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8180      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8188      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8223      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9771      1.00000
      2      -4.0540      1.00000
      3      -2.6953      1.00000
      4      -0.9030      1.00000
      5       0.0095      1.00000
      6       0.7637      1.00000
      7       1.7029      1.00000
      8       2.6072      1.00028
      9       4.0809     -0.00000
     10       4.2633     -0.00000
     11       4.9130     -0.00000
     12       5.7643     -0.00000
     13       6.6176     -0.00000
     14       7.4000     -0.00000
     15       7.4731     -0.00000
     16       8.8252      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6770      1.00000
      2      -2.6581      1.00000
      3      -1.7626      1.00000
      4      -1.7472      1.00000
      5      -0.6414      1.00000
      6      -0.2576      1.00000
      7       1.2404      1.00000
      8       1.9670      1.00000
      9       3.7562     -0.00012
     10       3.8813     -0.00000
     11       4.7576     -0.00000
     12       5.7879     -0.00000
     13       6.3898     -0.00000
     14       6.7476     -0.00000
     15       7.1487     -0.00000
     16       8.6695      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6452      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6452      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1880      1.00000
      2      -4.2651      1.00000
      3      -2.9036      1.00000
      4      -1.0871      1.00000
      5       1.1279      1.00000
      6       2.1586      1.00000
      7       2.3244      1.00000
      8       3.0420      0.92851
      9       3.4946     -0.02098
     10       4.2514     -0.00000
     11       4.4964     -0.00000
     12       4.8781     -0.00000
     13       6.2089     -0.00000
     14       6.8419     -0.00000
     15       7.1890     -0.00000
     16       8.6452      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2055     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40172
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40172
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2057     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0879      1.00000
      2      -2.1690      1.00000
      3      -0.8413      1.00000
      4      -0.5854      1.00000
      5       0.2417      1.00000
      6       0.8359      1.00000
      7       1.8054      1.00000
      8       1.8653      1.00000
      9       2.6044      1.00026
     10       3.1891      0.40173
     11       4.1146     -0.00000
     12       4.6676     -0.00000
     13       6.0350     -0.00000
     14       6.1394     -0.00000
     15       6.3374     -0.00000
     16       8.2056     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8071      1.00000
      2      -0.8053      1.00000
      3      -0.7739      1.00000
      4       0.0367      1.00000
      5       0.1215      1.00000
      6       0.1244      1.00000
      7       1.1315      1.00000
      8       1.1343      1.00000
      9       1.8179      1.00000
     10       2.6837      1.00171
     11       4.0852     -0.00000
     12       4.0877     -0.00000
     13       5.9471     -0.00000
     14       5.9526     -0.00000
     15       6.0158     -0.00000
     16       8.0076     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.936 -61.920   0.000  -0.148   0.000  -0.000  -0.011  -0.000
-61.920  33.072  -0.000   0.070  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.148   0.070  -0.000   1.698   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.3619: real time    426.4364
    FORNL :  cpu time      0.4976: real time      0.5040
    FORCOR:  cpu time      1.9539: real time      1.9657
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.112E-06 0.637E-06 0.180E+03   0.412E-13 0.309E-13 -.179E+03   0.999E-07 -.999E-06 -.105E+01
   -.601E-06 -.186E-06 0.910E+02   -.975E-15 -.478E-14 -.910E+02   -.658E-07 0.501E-06 -.627E-01
   0.206E-05 0.289E-05 -.156E+00   -.137E-12 -.763E-13 0.148E+00   -.214E-05 -.217E-05 0.139E-01
   -.214E-05 -.143E-05 -.912E+02   0.128E-12 0.739E-13 0.911E+02   0.223E-05 0.182E-05 0.882E-01
   -.407E-05 -.242E-05 -.180E+03   -.411E-13 -.207E-13 0.179E+03   0.356E-05 0.334E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.526E-05 -.763E-06 -.627E-02   -.971E-14 0.313E-14 -.284E-13   0.368E-05 0.249E-05 0.587E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000001     -0.021550
      0.00000      0.00000      2.37704        -0.000000     -0.000000     -0.001089
      1.42873      0.82488      4.71184        -0.000000      0.000000      0.006102
      2.85746      1.64976      7.04921         0.000001      0.000000      0.009251
      0.00000      0.00000      9.43405        -0.000001      0.000000      0.007286
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001      0.000002     -0.000660


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90567938 eV

  energy  without entropy=      -13.90208294  energy(sigma->0) =      -13.90448056
 
 d Force = 0.5717694E-04[ 0.519E-04, 0.625E-04]  d Energy = 0.4613189E-04 0.110E-04
 d Force = 0.6722193E+00[ 0.672E+00, 0.672E+00]  d Ewald  = 0.6722193E+00-0.138E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9533: real time      1.9647


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.854E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=  18.3380
 eigenvalue spectrum of G is 18.3380


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0558
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9510: real time      1.9635
    EDDIAG:  cpu time    596.7161: real time    601.7352
    CHARGE:  cpu time      0.2685: real time      0.2707
 writing wavefunctions
     LOOP+:  cpu time   5177.4040: real time   5221.3304


--------------------------------------- Iteration     76(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7252: real time      0.7313
    SETDIJ:  cpu time      1.2297: real time      1.2351
    TRIAL :  cpu time    592.2621: real time    597.3133
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2680: real time      0.2702
    --------------------------------------------
      LOOP:  cpu time    594.4987: real time    599.5644

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1628600E-02  (-0.8654200E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014327 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.62964013
  -exchange      EXHF   =        33.17141910
  -V(xc)+E(xc)   XCENC  =       -83.57964947
  PAW double counting   =    100837.00115618  -100736.03730545
  entropy T*S    EENTRO =        -0.00335064
  eigenvalues    EBANDS =       -34.37202332
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90404562 eV

  energy without entropy =      -13.90069497  energy(sigma->0) =      -13.90292874
  exchange ACFDT corr.  =        -0.00351993  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7292
    SETDIJ:  cpu time      1.2286: real time      1.2340
    TRIAL :  cpu time    590.1276: real time    595.1640
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.3535: real time    597.4037

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6166163E-03  (-0.5920004E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014326 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.09308296
  -exchange      EXHF   =        33.16915956
  -V(xc)+E(xc)   XCENC  =       -83.58045866
  PAW double counting   =    100827.90113288  -100726.93722142
  entropy T*S    EENTRO =        -0.00334029
  eigenvalues    EBANDS =       -34.90624343
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90466223 eV

  energy without entropy =      -13.90132194  energy(sigma->0) =      -13.90354880
  exchange ACFDT corr.  =        -0.00346168  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7281
    SETDIJ:  cpu time      1.2294: real time      1.2348
    TRIAL :  cpu time    592.9472: real time    598.0266
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time    595.1713: real time    600.2645

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4644950E-03  (-0.4572985E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014338 magnetization       0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -683.90160560
  -exchange      EXHF   =        33.16759328
  -V(xc)+E(xc)   XCENC  =       -83.58099884
  PAW double counting   =    100823.79054373  -100722.82662596
  entropy T*S    EENTRO =        -0.00336688
  eigenvalues    EBANDS =       -35.09609549
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90512673 eV

  energy without entropy =      -13.90175985  energy(sigma->0) =      -13.90400444
  exchange ACFDT corr.  =        -0.00354287  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2291: real time      1.2345
    TRIAL :  cpu time    590.7503: real time    595.7858
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    592.9751: real time    598.0243

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3334054E-03  (-0.1930586E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014374 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.07569715
  -exchange      EXHF   =        33.16731827
  -V(xc)+E(xc)   XCENC  =       -83.58107718
  PAW double counting   =    100827.33451705  -100726.37065878
  entropy T*S    EENTRO =        -0.00337636
  eigenvalues    EBANDS =       -34.92189792
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90546013 eV

  energy without entropy =      -13.90208377  energy(sigma->0) =      -13.90433468
  exchange ACFDT corr.  =        -0.00354278  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2300: real time      1.2353
    TRIAL :  cpu time    592.5174: real time    597.6248
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    594.7439: real time    599.8655

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1361846E-03  (-0.1044807E-03)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014397 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.18843490
  -exchange      EXHF   =        33.16744862
  -V(xc)+E(xc)   XCENC  =       -83.58102793
  PAW double counting   =    100833.01976775  -100732.05597075
  entropy T*S    EENTRO =        -0.00336063
  eigenvalues    EBANDS =       -34.80940519
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90559632 eV

  energy without entropy =      -13.90223569  energy(sigma->0) =      -13.90447611
  exchange ACFDT corr.  =        -0.00347972  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7293
    SETDIJ:  cpu time      1.2289: real time      1.2347
    TRIAL :  cpu time    588.9835: real time    594.0517
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    591.2090: real time    596.2913

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7648727E-04  (-0.4567476E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014391 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.12656157
  -exchange      EXHF   =        33.16744874
  -V(xc)+E(xc)   XCENC  =       -83.58103762
  PAW double counting   =    100840.07577542  -100739.11199505
  entropy T*S    EENTRO =        -0.00334616
  eigenvalues    EBANDS =       -34.87134454
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90567281 eV

  energy without entropy =      -13.90232664  energy(sigma->0) =      -13.90455742
  exchange ACFDT corr.  =        -0.00346684  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7281
    SETDIJ:  cpu time      1.2283: real time      1.2340
    TRIAL :  cpu time    592.1135: real time    597.2025
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.3374: real time    599.4405

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3143464E-04  (-0.2626958E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014359 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.06732773
  -exchange      EXHF   =        33.16748058
  -V(xc)+E(xc)   XCENC  =       -83.58103071
  PAW double counting   =    100849.24666649  -100748.28290016
  entropy T*S    EENTRO =        -0.00334540
  eigenvalues    EBANDS =       -34.93064899
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90570424 eV

  energy without entropy =      -13.90235884  energy(sigma->0) =      -13.90458911
  exchange ACFDT corr.  =        -0.00345507  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7292
    SETDIJ:  cpu time      1.2293: real time      1.2347
    TRIAL :  cpu time    593.6153: real time    598.7284
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    595.8408: real time    600.9683

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2141508E-04  (-0.1815674E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014313 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.09812211
  -exchange      EXHF   =        33.16764174
  -V(xc)+E(xc)   XCENC  =       -83.58097049
  PAW double counting   =    100860.23506138  -100759.27133086
  entropy T*S    EENTRO =        -0.00334838
  eigenvalues    EBANDS =       -34.90006235
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572566 eV

  energy without entropy =      -13.90237728  energy(sigma->0) =      -13.90460953
  exchange ACFDT corr.  =        -0.00352358  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2300: real time      1.2354
    TRIAL :  cpu time    589.6994: real time    594.7317
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    591.9253: real time    596.9716

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1377036E-04  (-0.1012683E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014265 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.14266812
  -exchange      EXHF   =        33.16773984
  -V(xc)+E(xc)   XCENC  =       -83.58093050
  PAW double counting   =    100871.00015206  -100770.03640415
  entropy T*S    EENTRO =        -0.00334595
  eigenvalues    EBANDS =       -34.85568262
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573943 eV

  energy without entropy =      -13.90239348  energy(sigma->0) =      -13.90462411
  exchange ACFDT corr.  =        -0.00345839  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     76(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    590.4004: real time    595.4556
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.0207: real time    595.9656
    CHARGE:  cpu time      0.2685: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time   1183.6472: real time   1193.6611

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8299408E-05  (-0.6246417E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014220 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.96401820
  -Hartree energ DENC   =      -684.13701885
  -exchange      EXHF   =        33.16755715
  -V(xc)+E(xc)   XCENC  =       -83.58095079
  PAW double counting   =    100880.14009541  -100779.17634635
  entropy T*S    EENTRO =        -0.00334067
  eigenvalues    EBANDS =       -34.86125793
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574773 eV

  energy without entropy =      -13.90240705  energy(sigma->0) =      -13.90463417
  exchange ACFDT corr.  =        -0.00345605  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0144


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8912       2 -69.7835       3 -69.7897       4 -69.7865       5 -69.8944
 
 
 
 E-fermi :   3.1692     XC(G=0):  -5.1332     alpha+bet : -8.9779

 Fermi energy:         3.1691867229

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8264      1.00000
      2      -9.9282      1.00000
      3      -8.5874      1.00000
      4      -6.7654      1.00000
      5      -4.3840      1.00000
      6      -1.6072      1.00000
      7       1.5344      1.00000
      8       4.5576     -0.00000
      9       5.3887     -0.00000
     10       7.9132     -0.00000
     11       7.9430     -0.00000
     12      11.8756      0.00000
     13      12.1500      0.00000
     14      16.1246      0.00000
     15      16.1266      0.00000
     16      16.1301      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7574      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7575      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7596      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5600      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5601      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5602      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7869      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7868      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7865      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6141      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6140      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6142      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3258     -0.00000
     12       7.5428     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0173      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3258     -0.00000
     12       7.5427     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0313      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3259     -0.00000
     12       7.5427     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0426      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8171      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8190      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8193      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8201      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8294      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8320      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6425      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6426      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6426      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2034     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7965      1.00000
      2      -0.7946      1.00000
      3      -0.7626      1.00000
      4       0.0431      1.00000
      5       0.1256      1.00000
      6       0.1280      1.00000
      7       1.1361      1.00000
      8       1.1376      1.00000
      9       1.8211      1.00000
     10       2.6880      1.00172
     11       4.0881     -0.00000
     12       4.0912     -0.00000
     13       5.9446     -0.00000
     14       5.9488     -0.00000
     15       6.0106     -0.00000
     16       8.0085     -0.00000
 Fermi energy:         3.1691867229

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8264      1.00000
      2      -9.9282      1.00000
      3      -8.5874      1.00000
      4      -6.7654      1.00000
      5      -4.3840      1.00000
      6      -1.6072      1.00000
      7       1.5344      1.00000
      8       4.5576     -0.00000
      9       5.3887     -0.00000
     10       7.9132     -0.00000
     11       7.9430     -0.00000
     12      11.8756      0.00000
     13      12.1500      0.00000
     14      16.1246      0.00000
     15      16.1260      0.00000
     16      16.1301      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6178      1.00000
      2      -9.7189      1.00000
      3      -8.3771      1.00000
      4      -6.5534      1.00000
      5      -4.1680      1.00000
      6      -1.3970      1.00000
      7       1.7482      1.00000
      8       4.7409     -0.00000
      9       5.5631     -0.00000
     10       8.0815     -0.00000
     11       8.1088     -0.00000
     12      12.0098      0.00000
     13      12.2507      0.00000
     14      13.1767      0.00000
     15      13.9072      0.00000
     16      14.3877      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7579      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7575      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9918      1.00000
      2      -9.0910      1.00000
      3      -7.7459      1.00000
      4      -5.9172      1.00000
      5      -3.5207      1.00000
      6      -0.7670      1.00000
      7       2.3770      1.00000
      8       5.2753     -0.00000
      9       6.0816     -0.00000
     10       8.4682     -0.00000
     11       8.5993     -0.00000
     12       9.7741      0.00000
     13      10.3328      0.00000
     14      11.4073      0.00000
     15      12.4803      0.00000
     16      12.7573      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5600      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5602      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9477      1.00000
      2      -8.0433      1.00000
      3      -6.6927      1.00000
      4      -4.8568      1.00000
      5      -2.4475      1.00000
      6       0.2730      1.00000
      7       3.3471     -0.00970
      8       5.6660     -0.00000
      9       6.5293     -0.00000
     10       6.9127     -0.00000
     11       7.0336     -0.00000
     12       8.0976     -0.00000
     13       9.3877      0.00000
     14       9.5594      0.00000
     15       9.7872      0.00000
     16      11.5601      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7867      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7866      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4835      1.00000
      2      -6.5736      1.00000
      3      -5.2159      1.00000
      4      -3.3758      1.00000
      5      -0.9778      1.00000
      6       1.5798      1.00000
      7       2.6073      1.00025
      8       3.5833     -0.00640
      9       4.8260     -0.00000
     10       5.0769     -0.00000
     11       6.5237     -0.00000
     12       7.5892     -0.00000
     13       8.1915     -0.00000
     14       8.6726      0.00000
     15      10.4970      0.00000
     16      10.7864      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5950      1.00000
      2      -4.6792      1.00000
      3      -3.3205      1.00000
      4      -1.5176      1.00000
      5      -0.5960      1.00000
      6       0.1647      1.00000
      7       1.1102      1.00000
      8       2.0348      1.00000
      9       3.6481     -0.00185
     10       3.7324     -0.00026
     11       5.8934     -0.00000
     12       6.6433     -0.00000
     13       8.2188     -0.00000
     14       9.1441      0.00000
     15       9.7331      0.00000
     16      10.4683      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2924      1.00000
      2      -3.2735      1.00000
      3      -2.3774      1.00000
      4      -2.3701      1.00000
      5      -1.2520      1.00000
      6      -0.8674      1.00000
      7       0.6435      1.00000
      8       1.3767      1.00000
      9       3.3476     -0.00986
     10       3.4778     -0.02582
     11       5.6689     -0.00000
     12       6.0022     -0.00000
     13       8.3421     -0.00000
     14       8.8167      0.00000
     15      10.3006      0.00000
     16      10.5262      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6141      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6140      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2005      1.00000
      2      -9.3004      1.00000
      3      -7.9563      1.00000
      4      -6.1293      1.00000
      5      -3.7363      1.00000
      6      -0.9768      1.00000
      7       2.1699      1.00000
      8       5.1013     -0.00000
      9       5.9102     -0.00000
     10       8.4082     -0.00000
     11       8.4202     -0.00000
     12      11.4900      0.00000
     13      11.5050      0.00000
     14      11.9257      0.00000
     15      12.0594      0.00000
     16      12.6151      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3655      1.00000
      2      -8.4626      1.00000
      3      -7.1142      1.00000
      4      -5.2810      1.00000
      5      -2.8757      1.00000
      6      -0.1401      1.00000
      7       2.9814      1.01737
      8       5.7630     -0.00000
      9       6.5811     -0.00000
     10       7.9139     -0.00000
     11       8.6345      0.00000
     12       8.9927      0.00000
     13       9.4102      0.00000
     14       9.8653      0.00000
     15      10.2271      0.00000
     16      10.7765      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1116      1.00000
      2      -7.2041      1.00000
      3      -5.8492      1.00000
      4      -4.0094      1.00000
      5      -1.5986      1.00000
      6       1.0819      1.00000
      7       3.8099     -0.00003
      8       4.7017     -0.00000
      9       5.4472     -0.00000
     10       6.5371     -0.00000
     11       7.0385     -0.00000
     12       7.6761     -0.00000
     13       8.1861     -0.00000
     14       8.9526      0.00000
     15       9.6412      0.00000
     16       9.9928      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4356      1.00000
      2      -5.5219      1.00000
      3      -4.1614      1.00000
      4      -2.3275      1.00000
      5      -0.0156      1.00000
      6       1.0696      1.00000
      7       2.0305      1.00000
      8       2.9906      1.01035
      9       3.5523     -0.01052
     10       5.1963     -0.00000
     11       5.8430     -0.00000
     12       7.3012     -0.00000
     13       7.9984     -0.00000
     14       8.6294      0.00000
     15       9.0836      0.00000
     16       9.1593      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3341      1.00000
      2      -3.4181      1.00000
      3      -2.0759      1.00000
      4      -1.8199      1.00000
      5      -0.9771      1.00000
      6      -0.3446      1.00000
      7       0.6672      1.00000
      8       2.2717      1.00000
      9       2.6413      1.00060
     10       4.7062     -0.00000
     11       4.8840     -0.00000
     12       7.0291     -0.00000
     13       7.4800     -0.00000
     14       8.0270     -0.00000
     15       8.8733      0.00000
     16       9.6750      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3258     -0.00000
     12       7.5427     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0170      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3258     -0.00000
     12       7.5427     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0242      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3209      1.00000
      2      -7.4142      1.00000
      3      -6.0603      1.00000
      4      -4.2210      1.00000
      5      -1.8089      1.00000
      6       0.8889      1.00000
      7       3.8963     -0.00000
      8       6.0427     -0.00000
      9       6.5526     -0.00000
     10       7.2663     -0.00000
     11       7.3258     -0.00000
     12       7.5428     -0.00000
     13       7.5849     -0.00000
     14       8.4122     -0.00000
     15       8.7703      0.00000
     16      10.0197      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8557      1.00000
      2      -5.9435      1.00000
      3      -4.5835      1.00000
      4      -2.7433      1.00000
      5      -0.3563      1.00000
      6       2.1666      1.00000
      7       3.1972      0.39080
      8       4.1584     -0.00000
      9       5.1078     -0.00000
     10       5.3943     -0.00000
     11       5.9241     -0.00000
     12       6.5061     -0.00000
     13       7.0244     -0.00000
     14       7.7667     -0.00000
     15       8.3671     -0.00000
     16       8.7363      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8141      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8161      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8190      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8191      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8238      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9665      1.00000
      2      -4.0495      1.00000
      3      -2.6918      1.00000
      4      -0.8988      1.00000
      5       0.0205      1.00000
      6       0.7666      1.00000
      7       1.7027      1.00000
      8       2.6092      1.00027
      9       4.0838     -0.00000
     10       4.2665     -0.00000
     11       4.9214     -0.00000
     12       5.7669     -0.00000
     13       6.6166     -0.00000
     14       7.3990     -0.00000
     15       7.4689     -0.00000
     16       8.8242      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6663      1.00000
      2      -2.6471      1.00000
      3      -1.7573      1.00000
      4      -1.7432      1.00000
      5      -0.6376      1.00000
      6      -0.2541      1.00000
      7       1.2447      1.00000
      8       1.9703      1.00000
      9       3.7542     -0.00014
     10       3.8810     -0.00000
     11       4.7642     -0.00000
     12       5.7908     -0.00000
     13       6.3908     -0.00000
     14       6.7473     -0.00000
     15       7.1516     -0.00000
     16       8.6723      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6425      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6425      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1775      1.00000
      2      -4.2606      1.00000
      3      -2.9001      1.00000
      4      -1.0829      1.00000
      5       1.1263      1.00000
      6       2.1687      1.00000
      7       2.3344      1.00000
      8       3.0476      0.92576
      9       3.4977     -0.02118
     10       4.2535     -0.00000
     11       4.4987     -0.00000
     12       4.8811     -0.00000
     13       6.2127     -0.00000
     14       6.8444     -0.00000
     15       7.1825     -0.00000
     16       8.6425      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2037     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0772      1.00000
      2      -2.1645      1.00000
      3      -0.8376      1.00000
      4      -0.5746      1.00000
      5       0.2467      1.00000
      6       0.8399      1.00000
      7       1.8126      1.00000
      8       1.8723      1.00000
      9       2.6077      1.00026
     10       3.1920      0.40629
     11       4.1142     -0.00000
     12       4.6693     -0.00000
     13       6.0343     -0.00000
     14       6.1408     -0.00000
     15       6.3369     -0.00000
     16       8.2036     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7965      1.00000
      2      -0.7946      1.00000
      3      -0.7626      1.00000
      4       0.0431      1.00000
      5       0.1256      1.00000
      6       0.1280      1.00000
      7       1.1361      1.00000
      8       1.1376      1.00000
      9       1.8211      1.00000
     10       2.6880      1.00172
     11       4.0881     -0.00000
     12       4.0912     -0.00000
     13       5.9446     -0.00000
     14       5.9488     -0.00000
     15       6.0106     -0.00000
     16       8.0087     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000   0.000  -0.010  -0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000   0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.944 -61.925   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.925  33.074  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.149   0.071  -0.000   1.697   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.0160: real time    427.0605
    FORNL :  cpu time      0.4915: real time      0.4975
    FORCOR:  cpu time      1.9513: real time      1.9628
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.443E-07 -.156E-05 0.180E+03   0.378E-13 0.232E-13 -.179E+03   0.372E-06 0.137E-05 -.105E+01
   -.161E-05 0.272E-06 0.909E+02   0.511E-14 0.534E-14 -.908E+02   0.761E-06 0.194E-06 -.517E-01
   0.132E-05 0.103E-05 -.117E+00   -.140E-12 -.816E-13 0.113E+00   -.134E-05 -.390E-06 0.716E-02
   -.415E-05 -.415E-05 -.910E+02   0.127E-12 0.803E-13 0.910E+02   0.353E-05 0.552E-05 0.767E-01
   0.238E-05 0.324E-05 -.179E+03   -.399E-13 -.241E-13 0.179E+03   -.158E-05 -.329E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.197E-05 -.116E-05 -.265E-02   -.971E-14 0.313E-14 0.284E-13   0.175E-05 0.340E-05 0.260E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.019034
      0.00000      0.00000      2.37784        -0.000000      0.000000      0.011037
      1.42873      0.82488      4.71630        -0.000000     -0.000000      0.002587
      2.85746      1.64976      7.05623        -0.000001      0.000001      0.001214
      0.00000      0.00000      9.44088         0.000001     -0.000000      0.004196
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000002     -0.002819


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90574773 eV

  energy  without entropy=      -13.90240705  energy(sigma->0) =      -13.90463417
 
 d Force = 0.9929104E-04[ 0.575E-04, 0.141E-03]  d Energy = 0.6835008E-04 0.309E-04
 d Force = 0.1787151E+01[ 0.179E+01, 0.179E+01]  d Ewald  = 0.1787151E+01-0.309E-07


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9549: real time      1.9664


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.712E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   7.4130
 eigenvalue spectrum of G is  7.4130


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0764
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0844: real time      0.0848
    POTLOK:  cpu time      1.9505: real time      1.9624
    EDDIAG:  cpu time    597.4018: real time    602.4262
    CHARGE:  cpu time      0.2689: real time      0.2711
 writing wavefunctions
     LOOP+:  cpu time   7555.7700: real time   7619.8345


--------------------------------------- Iteration     77(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7292
    SETDIJ:  cpu time      1.2316: real time      1.2369
    TRIAL :  cpu time    593.5913: real time    598.6811
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    595.8299: real time    600.9342

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2644202E-03  (-0.8948788E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014152 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.81713062
  -exchange      EXHF   =        33.16993208
  -V(xc)+E(xc)   XCENC  =       -83.58018384
  PAW double counting   =    100896.65636668  -100795.69284782
  entropy T*S    EENTRO =        -0.00342628
  eigenvalues    EBANDS =       -34.92058655
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90547501 eV

  energy without entropy =      -13.90204873  energy(sigma->0) =      -13.90433291
  exchange ACFDT corr.  =        -0.00354648  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2314: real time      1.2368
    TRIAL :  cpu time    593.3011: real time    598.3811
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    595.5293: real time    600.6230

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7912418E-04  (-0.8724253E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014114 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.80442883
  -exchange      EXHF   =        33.17020259
  -V(xc)+E(xc)   XCENC  =       -83.58010273
  PAW double counting   =    100899.27562627  -100798.31209775
  entropy T*S    EENTRO =        -0.00342380
  eigenvalues    EBANDS =       -34.93373450
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90555413 eV

  energy without entropy =      -13.90213033  energy(sigma->0) =      -13.90441286
  exchange ACFDT corr.  =        -0.00354258  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7289
    SETDIJ:  cpu time      1.2318: real time      1.2371
    TRIAL :  cpu time    594.2077: real time    599.3475
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    596.4370: real time    601.5903

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7374170E-04  (-0.5651143E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014073 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.81666748
  -exchange      EXHF   =        33.17056414
  -V(xc)+E(xc)   XCENC  =       -83.57998772
  PAW double counting   =    100903.32618368  -100802.36264514
  entropy T*S    EENTRO =        -0.00342563
  eigenvalues    EBANDS =       -34.92205864
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90562787 eV

  energy without entropy =      -13.90220224  energy(sigma->0) =      -13.90448600
  exchange ACFDT corr.  =        -0.00354191  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7284
    SETDIJ:  cpu time      1.2313: real time      1.2368
    TRIAL :  cpu time    593.6603: real time    598.7805
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    595.8867: real time    601.0214

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4668221E-04  (-0.3159310E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014037 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.84402442
  -exchange      EXHF   =        33.17086005
  -V(xc)+E(xc)   XCENC  =       -83.57989278
  PAW double counting   =    100907.60518917  -100806.64162005
  entropy T*S    EENTRO =        -0.00342801
  eigenvalues    EBANDS =       -34.89516798
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90567455 eV

  energy without entropy =      -13.90224655  energy(sigma->0) =      -13.90453189
  exchange ACFDT corr.  =        -0.00354450  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2295: real time      1.2352
    TRIAL :  cpu time    591.3127: real time    596.4081
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.5391: real time    598.6486

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2590920E-04  (-0.1727650E-04)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0014006 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.85591806
  -exchange      EXHF   =        33.17099249
  -V(xc)+E(xc)   XCENC  =       -83.57985276
  PAW double counting   =    100911.23715184  -100810.27356654
  entropy T*S    EENTRO =        -0.00342928
  eigenvalues    EBANDS =       -34.88348652
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90570046 eV

  energy without entropy =      -13.90227118  energy(sigma->0) =      -13.90455737
  exchange ACFDT corr.  =        -0.00354660  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7292
    SETDIJ:  cpu time      1.2311: real time      1.2368
    TRIAL :  cpu time    592.3711: real time    597.4853
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    594.5993: real time    599.7275

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1412685E-04  (-0.9371947E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0013976 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.84794445
  -exchange      EXHF   =        33.17098563
  -V(xc)+E(xc)   XCENC  =       -83.57985955
  PAW double counting   =    100914.26102286  -100813.29743623
  entropy T*S    EENTRO =        -0.00343043
  eigenvalues    EBANDS =       -34.89146066
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90571459 eV

  energy without entropy =      -13.90228416  energy(sigma->0) =      -13.90457111
  exchange ACFDT corr.  =        -0.00354705  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     77(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2314: real time      1.2367
    TRIAL :  cpu time    586.9425: real time    591.9891
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.5581: real time    596.5155
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time   1180.7289: real time   1190.7466

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7645140E-05  (-0.5317676E-05)
 number of electron      15.0000000 magnetization      -0.0000003
 augmentation part       -0.0013949 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.70102284
  -Hartree energ DENC   =      -684.83764886
  -exchange      EXHF   =        33.17090256
  -V(xc)+E(xc)   XCENC  =       -83.57987798
  PAW double counting   =    100917.18323689  -100816.21964625
  entropy T*S    EENTRO =        -0.00343205
  eigenvalues    EBANDS =       -34.90169643
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572224 eV

  energy without entropy =      -13.90229019  energy(sigma->0) =      -13.90457822
  exchange ACFDT corr.  =        -0.00354736  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.7855


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8914       2 -69.7864       3 -69.7937       4 -69.7887       5 -69.8933
 
 
 
 E-fermi :   3.1671     XC(G=0):  -5.1327     alpha+bet : -8.9779

 Fermi energy:         3.1671437329

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8330      1.00000
      2      -9.9304      1.00000
      3      -8.5892      1.00000
      4      -6.7678      1.00000
      5      -4.3832      1.00000
      6      -1.6080      1.00000
      7       1.5370      1.00000
      8       4.5596     -0.00000
      9       5.3920     -0.00000
     10       7.9150     -0.00000
     11       7.9452     -0.00000
     12      11.8763      0.00000
     13      12.1521      0.00000
     14      16.1175      0.00000
     15      16.1198      0.00000
     16      16.1241      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7565      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7566      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7585      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5600      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5600      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5602      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7884      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7884      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7881      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01224
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01224
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01224
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6138      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6137      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6139      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0178      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0316      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0428      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39917
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8153      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8172      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8173      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8193      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8270      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8304      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6432      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6432      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6433      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2036     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40321
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2036     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8034      1.00000
      2      -0.8016      1.00000
      3      -0.7697      1.00000
      4       0.0394      1.00000
      5       0.1237      1.00000
      6       0.1264      1.00000
      7       1.1332      1.00000
      8       1.1357      1.00000
      9       1.8199      1.00000
     10       2.6859      1.00173
     11       4.0864     -0.00000
     12       4.0885     -0.00000
     13       5.9453     -0.00000
     14       5.9497     -0.00000
     15       6.0113     -0.00000
     16       8.0075     -0.00000
 Fermi energy:         3.1671437329

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8330      1.00000
      2      -9.9304      1.00000
      3      -8.5892      1.00000
      4      -6.7678      1.00000
      5      -4.3832      1.00000
      6      -1.6080      1.00000
      7       1.5370      1.00000
      8       4.5596     -0.00000
      9       5.3920     -0.00000
     10       7.9150     -0.00000
     11       7.9452     -0.00000
     12      11.8763      0.00000
     13      12.1521      0.00000
     14      16.1175      0.00000
     15      16.1192      0.00000
     16      16.1241      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6244      1.00000
      2      -9.7212      1.00000
      3      -8.3789      1.00000
      4      -6.5558      1.00000
      5      -4.1672      1.00000
      6      -1.3978      1.00000
      7       1.7508      1.00000
      8       4.7429     -0.00000
      9       5.5664     -0.00000
     10       8.0833     -0.00000
     11       8.1109     -0.00000
     12      12.0103      0.00000
     13      12.2524      0.00000
     14      13.1707      0.00000
     15      13.9050      0.00000
     16      14.3811      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7570      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7566      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9984      1.00000
      2      -9.0932      1.00000
      3      -7.7477      1.00000
      4      -5.9197      1.00000
      5      -3.5199      1.00000
      6      -0.7678      1.00000
      7       2.3795      1.00000
      8       5.2773     -0.00000
      9       6.0849     -0.00000
     10       8.4690     -0.00000
     11       8.6012     -0.00000
     12       9.7687      0.00000
     13      10.3306      0.00000
     14      11.4057      0.00000
     15      12.4811      0.00000
     16      12.7564      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5600      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5601      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9544      1.00000
      2      -8.0456      1.00000
      3      -6.6945      1.00000
      4      -4.8593      1.00000
      5      -2.4468      1.00000
      6       0.2721      1.00000
      7       3.3491     -0.01261
      8       5.6632     -0.00000
      9       6.5285     -0.00000
     10       6.9105     -0.00000
     11       7.0359     -0.00000
     12       8.0959     -0.00000
     13       9.3885      0.00000
     14       9.5598      0.00000
     15       9.7871      0.00000
     16      11.5601      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7883      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7882      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4902      1.00000
      2      -6.5758      1.00000
      3      -5.2178      1.00000
      4      -3.3783      1.00000
      5      -0.9771      1.00000
      6       1.5781      1.00000
      7       2.6014      1.00024
      8       3.5813     -0.00636
      9       4.8253     -0.00000
     10       5.0777     -0.00000
     11       6.5211     -0.00000
     12       7.5908     -0.00000
     13       8.1947     -0.00000
     14       8.6732      0.00000
     15      10.4982      0.00000
     16      10.7880      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6018      1.00000
      2      -4.6815      1.00000
      3      -3.3224      1.00000
      4      -1.5203      1.00000
      5      -0.6032      1.00000
      6       0.1630      1.00000
      7       1.1100      1.00000
      8       2.0336      1.00000
      9       3.6462     -0.00183
     10       3.7308     -0.00025
     11       5.8940     -0.00000
     12       6.6456     -0.00000
     13       8.2183     -0.00000
     14       9.1455      0.00000
     15       9.7361      0.00000
     16      10.4615      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01224
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01223
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2993      1.00000
      2      -3.2806      1.00000
      3      -2.3793      1.00000
      4      -2.3730      1.00000
      5      -1.2543      1.00000
      6      -0.8691      1.00000
      7       0.6411      1.00000
      8       1.3745      1.00000
      9       3.3485     -0.01224
     10       3.4783     -0.02524
     11       5.6678     -0.00000
     12       6.0016     -0.00000
     13       8.3446     -0.00000
     14       8.8179      0.00000
     15      10.2939      0.00000
     16      10.5255      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6138      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6137      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2071      1.00000
      2      -9.3026      1.00000
      3      -7.9582      1.00000
      4      -6.1317      1.00000
      5      -3.7355      1.00000
      6      -0.9775      1.00000
      7       2.1725      1.00000
      8       5.1033     -0.00000
      9       5.9134     -0.00000
     10       8.4099     -0.00000
     11       8.4222     -0.00000
     12      11.4833      0.00000
     13      11.4989      0.00000
     14      11.9241      0.00000
     15      12.0586      0.00000
     16      12.6147      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3722      1.00000
      2      -8.4649      1.00000
      3      -7.1160      1.00000
      4      -5.2834      1.00000
      5      -2.8749      1.00000
      6      -0.1409      1.00000
      7       2.9838      1.01467
      8       5.7646     -0.00000
      9       6.5841     -0.00000
     10       7.9087     -0.00000
     11       8.6326      0.00000
     12       8.9935      0.00000
     13       9.4105      0.00000
     14       9.8638      0.00000
     15      10.2219      0.00000
     16      10.7740      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1183      1.00000
      2      -7.2064      1.00000
      3      -5.8511      1.00000
      4      -4.0119      1.00000
      5      -1.5979      1.00000
      6       1.0810      1.00000
      7       3.8080     -0.00003
      8       4.6990     -0.00000
      9       5.4455     -0.00000
     10       6.5351     -0.00000
     11       7.0396     -0.00000
     12       7.6791     -0.00000
     13       8.1836     -0.00000
     14       8.9472      0.00000
     15       9.6392      0.00000
     16       9.9940      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4424      1.00000
      2      -5.5242      1.00000
      3      -4.1633      1.00000
      4      -2.3301      1.00000
      5      -0.0156      1.00000
      6       1.0632      1.00000
      7       2.0283      1.00000
      8       2.9899      1.00925
      9       3.5503     -0.01045
     10       5.1937     -0.00000
     11       5.8448     -0.00000
     12       7.3009     -0.00000
     13       7.9961     -0.00000
     14       8.6286      0.00000
     15       9.0863      0.00000
     16       9.1576      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3410      1.00000
      2      -3.4205      1.00000
      3      -2.0779      1.00000
      4      -1.8269      1.00000
      5      -0.9798      1.00000
      6      -0.3468      1.00000
      7       0.6655      1.00000
      8       2.2713      1.00000
      9       2.6399      1.00061
     10       4.7066     -0.00000
     11       4.8832     -0.00000
     12       7.0273     -0.00000
     13       7.4792     -0.00000
     14       8.0248     -0.00000
     15       8.8721      0.00000
     16       9.6755      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0175      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0244      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3276      1.00000
      2      -7.4164      1.00000
      3      -6.0621      1.00000
      4      -4.2235      1.00000
      5      -1.8081      1.00000
      6       0.8880      1.00000
      7       3.8979     -0.00000
      8       6.0396     -0.00000
      9       6.5476     -0.00000
     10       7.2638     -0.00000
     11       7.3231     -0.00000
     12       7.5415     -0.00000
     13       7.5874     -0.00000
     14       8.4106     -0.00000
     15       8.7683      0.00000
     16      10.0202      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8625      1.00000
      2      -5.9457      1.00000
      3      -4.5854      1.00000
      4      -2.7459      1.00000
      5      -0.3557      1.00000
      6       2.1648      1.00000
      7       3.1912      0.39916
      8       4.1564     -0.00000
      9       5.1048     -0.00000
     10       5.3922     -0.00000
     11       5.9222     -0.00000
     12       6.5046     -0.00000
     13       7.0222     -0.00000
     14       7.7655     -0.00000
     15       8.3681     -0.00000
     16       8.7393      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8130      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8144      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8173      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8177      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8215      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9734      1.00000
      2      -4.0519      1.00000
      3      -2.6937      1.00000
      4      -0.9014      1.00000
      5       0.0133      1.00000
      6       0.7649      1.00000
      7       1.7024      1.00000
      8       2.6079      1.00028
      9       4.0821     -0.00000
     10       4.2638     -0.00000
     11       4.9158     -0.00000
     12       5.7654     -0.00000
     13       6.6169     -0.00000
     14       7.3992     -0.00000
     15       7.4695     -0.00000
     16       8.8232      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6733      1.00000
      2      -2.6542      1.00000
      3      -1.7603      1.00000
      4      -1.7451      1.00000
      5      -0.6398      1.00000
      6      -0.2558      1.00000
      7       1.2423      1.00000
      8       1.9681      1.00000
      9       3.7546     -0.00013
     10       3.8793     -0.00000
     11       4.7597     -0.00000
     12       5.7894     -0.00000
     13       6.3901     -0.00000
     14       6.7467     -0.00000
     15       7.1497     -0.00000
     16       8.6702      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6432      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6432      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1844      1.00000
      2      -4.2629      1.00000
      3      -2.9020      1.00000
      4      -1.0855      1.00000
      5       1.1259      1.00000
      6       2.1620      1.00000
      7       2.3282      1.00000
      8       3.0446      0.92619
      9       3.4965     -0.02100
     10       4.2523     -0.00000
     11       4.4967     -0.00000
     12       4.8794     -0.00000
     13       6.2106     -0.00000
     14       6.8424     -0.00000
     15       7.1845     -0.00000
     16       8.6432      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40321
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40321
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2038     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40320
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0841      1.00000
      2      -2.1668      1.00000
      3      -0.8397      1.00000
      4      -0.5815      1.00000
      5       0.2440      1.00000
      6       0.8376      1.00000
      7       1.8082      1.00000
      8       1.8678      1.00000
      9       2.6060      1.00026
     10       3.1905      0.40321
     11       4.1134     -0.00000
     12       4.6682     -0.00000
     13       6.0343     -0.00000
     14       6.1392     -0.00000
     15       6.3360     -0.00000
     16       8.2037     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8034      1.00000
      2      -0.8016      1.00000
      3      -0.7697      1.00000
      4       0.0394      1.00000
      5       0.1237      1.00000
      6       0.1264      1.00000
      7       1.1332      1.00000
      8       1.1357      1.00000
      9       1.8199      1.00000
     10       2.6859      1.00173
     11       4.0864     -0.00000
     12       4.0885     -0.00000
     13       5.9453     -0.00000
     14       5.9497     -0.00000
     15       6.0113     -0.00000
     16       8.0078     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002  -0.000  -0.000  -0.006  -0.000
 13.768  23.496  -0.000  -0.003  -0.000  -0.000  -0.010  -0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.946 -61.926   0.000  -0.149   0.000  -0.000  -0.011  -0.000
-61.926  33.075  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.149   0.071  -0.000   1.697   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.6319: real time    427.6513
    FORNL :  cpu time      0.4987: real time      0.5047
    FORCOR:  cpu time      1.9541: real time      1.9656
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.120E-05 0.812E-06 0.180E+03   0.390E-13 0.244E-13 -.179E+03   -.109E-05 -.105E-05 -.105E+01
   -.805E-06 0.157E-05 0.910E+02   0.647E-15 0.766E-14 -.909E+02   0.116E-06 -.782E-06 -.579E-01
   -.757E-06 -.190E-05 -.138E+00   -.136E-12 -.831E-13 0.128E+00   0.694E-06 0.127E-05 0.191E-01
   -.108E-05 0.238E-06 -.911E+02   0.129E-12 0.758E-13 0.910E+02   0.824E-06 0.144E-07 0.926E-01
   0.254E-05 -.358E-05 -.180E+03   -.421E-13 -.217E-13 0.179E+03   -.202E-05 0.361E-05 0.103E+01
 -----------------------------------------------------------------------------------------------
   0.358E-05 -.159E-05 -.154E-01   -.971E-14 0.313E-14 0.000E+00   -.148E-05 0.306E-05 0.332E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.022914
      0.00000      0.00000      2.37777        -0.000001      0.000001      0.003723
      1.42873      0.82488      4.71455        -0.000001     -0.000001      0.004522
      2.85746      1.64976      7.05339         0.000001      0.000001      0.006636
      0.00000      0.00000      9.43816         0.000001     -0.000000      0.008033
 -----------------------------------------------------------------------------------
    total drift:                                0.000002      0.000002      0.020400


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90572224 eV

  energy  without entropy=      -13.90229019  energy(sigma->0) =      -13.90457822
 
 d Force =-0.3449876E-04[-0.488E-04,-0.202E-04]  d Energy =-0.2549036E-04-0.901E-05
 d Force =-0.7370046E+00[-0.737E+00,-0.737E+00]  d Ewald  =-0.7370046E+00 0.280E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9520: real time      1.9635


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.689E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   5.8639
 eigenvalue spectrum of G is  5.8639


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0814
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0843: real time      0.0847
    POTLOK:  cpu time      1.9504: real time      1.9622
    EDDIAG:  cpu time    592.4021: real time    597.3001
    CHARGE:  cpu time      0.2689: real time      0.2712
 writing wavefunctions
     LOOP+:  cpu time   5777.2396: real time   5826.1416


--------------------------------------- Iteration     78(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7239: real time      0.7300
    SETDIJ:  cpu time      1.2280: real time      1.2335
    TRIAL :  cpu time    591.5529: real time    596.6447
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    593.7879: real time    598.8945

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3307327E-04  (-0.3918263E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014015 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.30995347
  -Hartree energ DENC   =      -684.55823379
  -exchange      EXHF   =        33.16983851
  -V(xc)+E(xc)   XCENC  =       -83.58022579
  PAW double counting   =    100913.17518481  -100812.21146789
  entropy T*S    EENTRO =        -0.00339962
  eigenvalues    EBANDS =       -34.78870834
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90568152 eV

  energy without entropy =      -13.90228189  energy(sigma->0) =      -13.90454831
  exchange ACFDT corr.  =        -0.00351525  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     78(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2299: real time      1.2357
    TRIAL :  cpu time    592.0112: real time    597.1537
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2687: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.2367: real time    599.3938

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2980989E-04  (-0.2935718E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014008 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.30995347
  -Hartree energ DENC   =      -684.46074843
  -exchange      EXHF   =        33.16935500
  -V(xc)+E(xc)   XCENC  =       -83.58039604
  PAW double counting   =    100912.59843361  -100811.63471057
  entropy T*S    EENTRO =        -0.00339959
  eigenvalues    EBANDS =       -34.88558299
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90571133 eV

  energy without entropy =      -13.90231173  energy(sigma->0) =      -13.90457813
  exchange ACFDT corr.  =        -0.00350614  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     78(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7280
    SETDIJ:  cpu time      1.2279: real time      1.2336
    TRIAL :  cpu time    589.1059: real time    594.2208
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    591.3297: real time    596.4588

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2211916E-04  (-0.1761979E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0014002 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.30995347
  -Hartree energ DENC   =      -684.42038469
  -exchange      EXHF   =        33.16897903
  -V(xc)+E(xc)   XCENC  =       -83.58052536
  PAW double counting   =    100912.93144865  -100811.96772615
  entropy T*S    EENTRO =        -0.00340483
  eigenvalues    EBANDS =       -34.92546305
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573345 eV

  energy without entropy =      -13.90232862  energy(sigma->0) =      -13.90459850
  exchange ACFDT corr.  =        -0.00350416  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     78(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2295: real time      1.2351
    TRIAL :  cpu time    593.7372: real time    598.9011
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    595.9631: real time    601.1411

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1191119E-04  (-0.5822386E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013998 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.30995347
  -Hartree energ DENC   =      -684.44502864
  -exchange      EXHF   =        33.16887189
  -V(xc)+E(xc)   XCENC  =       -83.58055951
  PAW double counting   =    100914.76070949  -100813.79699298
  entropy T*S    EENTRO =        -0.00340667
  eigenvalues    EBANDS =       -34.90067850
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574536 eV

  energy without entropy =      -13.90233869  energy(sigma->0) =      -13.90460980
  exchange ACFDT corr.  =        -0.00354918  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     78(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7289
    SETDIJ:  cpu time      1.2297: real time      1.2353
    TRIAL :  cpu time    593.3040: real time    598.4521
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    592.8622: real time    597.8382
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time   1188.3925: real time   1198.5311

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3391644E-05  (-0.2212095E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013990 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.30995347
  -Hartree energ DENC   =      -684.46378684
  -exchange      EXHF   =        33.16891186
  -V(xc)+E(xc)   XCENC  =       -83.58055335
  PAW double counting   =    100917.39946365  -100816.43575213
  entropy T*S    EENTRO =        -0.00340407
  eigenvalues    EBANDS =       -34.88193977
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574875 eV

  energy without entropy =      -13.90234468  energy(sigma->0) =      -13.90461406
  exchange ACFDT corr.  =        -0.00350996  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0765


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8936       2 -69.7844       3 -69.7895       4 -69.7876       5 -69.8953
 
 
 
 E-fermi :   3.1685     XC(G=0):  -5.1331     alpha+bet : -8.9779

 Fermi energy:         3.1684649981

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8291      1.00000
      2      -9.9295      1.00000
      3      -8.5885      1.00000
      4      -6.7671      1.00000
      5      -4.3838      1.00000
      6      -1.6078      1.00000
      7       1.5356      1.00000
      8       4.5583     -0.00000
      9       5.3901     -0.00000
     10       7.9141     -0.00000
     11       7.9437     -0.00000
     12      11.8757      0.00000
     13      12.1510      0.00000
     14      16.1217      0.00000
     15      16.1239      0.00000
     16      16.1277      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4804      0.00000
     16      12.7567      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4804      0.00000
     16      12.7568      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4805      0.00000
     16      12.7586      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5599      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5599      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5600      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7874      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7873      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7871      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5990      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5989      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5990      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6134      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6133      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6135      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01601
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01601
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01601
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0169      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0307      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0420      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8159      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8177      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8179      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8195      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8274      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8305      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6424      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6425      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6425      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2034     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7992      1.00000
      2      -0.7975      1.00000
      3      -0.7657      1.00000
      4       0.0413      1.00000
      5       0.1244      1.00000
      6       0.1271      1.00000
      7       1.1345      1.00000
      8       1.1369      1.00000
      9       1.8199      1.00000
     10       2.6862      1.00172
     11       4.0872     -0.00000
     12       4.0890     -0.00000
     13       5.9444     -0.00000
     14       5.9491     -0.00000
     15       6.0112     -0.00000
     16       8.0076     -0.00000
 Fermi energy:         3.1684649981

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8291      1.00000
      2      -9.9295      1.00000
      3      -8.5885      1.00000
      4      -6.7671      1.00000
      5      -4.3838      1.00000
      6      -1.6078      1.00000
      7       1.5356      1.00000
      8       4.5583     -0.00000
      9       5.3901     -0.00000
     10       7.9141     -0.00000
     11       7.9437     -0.00000
     12      11.8757      0.00000
     13      12.1510      0.00000
     14      16.1217      0.00000
     15      16.1232      0.00000
     16      16.1277      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6205      1.00000
      2      -9.7202      1.00000
      3      -8.3782      1.00000
      4      -6.5551      1.00000
      5      -4.1678      1.00000
      6      -1.3975      1.00000
      7       1.7494      1.00000
      8       4.7415     -0.00000
      9       5.5645     -0.00000
     10       8.0824     -0.00000
     11       8.1095     -0.00000
     12      12.0098      0.00000
     13      12.2514      0.00000
     14      13.1743      0.00000
     15      13.9059      0.00000
     16      14.3850      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4804      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4804      0.00000
     16      12.7568      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9945      1.00000
      2      -9.0923      1.00000
      3      -7.7470      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7675      1.00000
      7       2.3782      1.00000
      8       5.2759     -0.00000
      9       6.0830     -0.00000
     10       8.4684     -0.00000
     11       8.6001     -0.00000
     12       9.7720      0.00000
     13      10.3315      0.00000
     14      11.4062      0.00000
     15      12.4804      0.00000
     16      12.7566      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5599      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5600      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9504      1.00000
      2      -8.0446      1.00000
      3      -6.6938      1.00000
      4      -4.8585      1.00000
      5      -2.4474      1.00000
      6       0.2724      1.00000
      7       3.3480     -0.01122
      8       5.6647     -0.00000
      9       6.5288     -0.00000
     10       6.9116     -0.00000
     11       7.0346     -0.00000
     12       8.0965     -0.00000
     13       9.3879      0.00000
     14       9.5595      0.00000
     15       9.7868      0.00000
     16      11.5599      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7872      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7872      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4862      1.00000
      2      -6.5748      1.00000
      3      -5.2171      1.00000
      4      -3.3775      1.00000
      5      -0.9776      1.00000
      6       1.5789      1.00000
      7       2.6048      1.00024
      8       3.5821     -0.00633
      9       4.8254     -0.00000
     10       5.0774     -0.00000
     11       6.5219     -0.00000
     12       7.5896     -0.00000
     13       8.1929     -0.00000
     14       8.6728      0.00000
     15      10.4975      0.00000
     16      10.7870      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5990      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5989      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5978      1.00000
      2      -4.6804      1.00000
      3      -3.3216      1.00000
      4      -1.5194      1.00000
      5      -0.5990      1.00000
      6       0.1637      1.00000
      7       1.1098      1.00000
      8       2.0340      1.00000
      9       3.6467     -0.00185
     10       3.7315     -0.00025
     11       5.8935     -0.00000
     12       6.6443     -0.00000
     13       8.2184     -0.00000
     14       9.1444      0.00000
     15       9.7344      0.00000
     16      10.4655      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2952      1.00000
      2      -3.2764      1.00000
      3      -2.3786      1.00000
      4      -2.3716      1.00000
      5      -1.2532      1.00000
      6      -0.8686      1.00000
      7       0.6417      1.00000
      8       1.3751      1.00000
      9       3.3477     -0.01097
     10       3.4781     -0.02550
     11       5.6681     -0.00000
     12       6.0017     -0.00000
     13       8.3433     -0.00000
     14       8.8172      0.00000
     15      10.2979      0.00000
     16      10.5257      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6134      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6133      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2032      1.00000
      2      -9.3016      1.00000
      3      -7.9574      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9773      1.00000
      7       2.1711      1.00000
      8       5.1020     -0.00000
      9       5.9115     -0.00000
     10       8.4091     -0.00000
     11       8.4208     -0.00000
     12      11.4873      0.00000
     13      11.5025      0.00000
     14      11.9247      0.00000
     15      12.0590      0.00000
     16      12.6143      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01601
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01601
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3682      1.00000
      2      -8.4639      1.00000
      3      -7.1153      1.00000
      4      -5.2827      1.00000
      5      -2.8755      1.00000
      6      -0.1407      1.00000
      7       2.9825      1.01600
      8       5.7635     -0.00000
      9       6.5824     -0.00000
     10       7.9117     -0.00000
     11       8.6335      0.00000
     12       8.9930      0.00000
     13       9.4103      0.00000
     14       9.8643      0.00000
     15      10.2249      0.00000
     16      10.7751      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1144      1.00000
      2      -7.2054      1.00000
      3      -5.8503      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0813      1.00000
      7       3.8091     -0.00003
      8       4.7005     -0.00000
      9       5.4463     -0.00000
     10       6.5360     -0.00000
     11       7.0386     -0.00000
     12       7.6774     -0.00000
     13       8.1844     -0.00000
     14       8.9503      0.00000
     15       9.6401      0.00000
     16       9.9933      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4384      1.00000
      2      -5.5232      1.00000
      3      -4.1626      1.00000
      4      -2.3292      1.00000
      5      -0.0157      1.00000
      6       1.0669      1.00000
      7       2.0292      1.00000
      8       2.9900      1.00974
      9       3.5512     -0.01045
     10       5.1946     -0.00000
     11       5.8438     -0.00000
     12       7.3009     -0.00000
     13       7.9973     -0.00000
     14       8.6289      0.00000
     15       9.0848      0.00000
     16       9.1583      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3369      1.00000
      2      -3.4194      1.00000
      3      -2.0770      1.00000
      4      -1.8228      1.00000
      5      -0.9785      1.00000
      6      -0.3461      1.00000
      7       0.6660      1.00000
      8       2.2711      1.00000
      9       2.6404      1.00060
     10       4.7064     -0.00000
     11       4.8833     -0.00000
     12       7.0281     -0.00000
     13       7.4796     -0.00000
     14       8.0260     -0.00000
     15       8.8726      0.00000
     16       9.6750      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0166      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0235      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3237      1.00000
      2      -7.4154      1.00000
      3      -6.0614      1.00000
      4      -4.2227      1.00000
      5      -1.8087      1.00000
      6       0.8883      1.00000
      7       3.8971     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2651     -0.00000
     11       7.3246     -0.00000
     12       7.5419     -0.00000
     13       7.5860     -0.00000
     14       8.4111     -0.00000
     15       8.7691      0.00000
     16      10.0192      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8585      1.00000
      2      -5.9447      1.00000
      3      -4.5846      1.00000
      4      -2.7451      1.00000
      5      -0.3562      1.00000
      6       2.1657      1.00000
      7       3.1946      0.39528
      8       4.1573     -0.00000
      9       5.1065     -0.00000
     10       5.3931     -0.00000
     11       5.9232     -0.00000
     12       6.5052     -0.00000
     13       7.0230     -0.00000
     14       7.7660     -0.00000
     15       8.3671     -0.00000
     16       8.7375      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8134      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8150      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8178      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8181      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9006      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8220      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9693      1.00000
      2      -4.0508      1.00000
      3      -2.6929      1.00000
      4      -0.9005      1.00000
      5       0.0176      1.00000
      6       0.7657      1.00000
      7       1.7022      1.00000
      8       2.6083      1.00027
      9       4.0826     -0.00000
     10       4.2650     -0.00000
     11       4.9190     -0.00000
     12       5.7660     -0.00000
     13       6.6163     -0.00000
     14       7.3989     -0.00000
     15       7.4692     -0.00000
     16       8.8233      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6691      1.00000
      2      -2.6501      1.00000
      3      -1.7589      1.00000
      4      -1.7443      1.00000
      5      -0.6388      1.00000
      6      -0.2552      1.00000
      7       1.2429      1.00000
      8       1.9688      1.00000
      9       3.7541     -0.00014
     10       3.8804     -0.00000
     11       4.7623     -0.00000
     12       5.7897     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1506     -0.00000
     16       8.6710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6424      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6424      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1803      1.00000
      2      -4.2619      1.00000
      3      -2.9012      1.00000
      4      -1.0847      1.00000
      5       1.1260      1.00000
      6       2.1660      1.00000
      7       2.3317      1.00000
      8       3.0460      0.92528
      9       3.4967     -0.02098
     10       4.2527     -0.00000
     11       4.4977     -0.00000
     12       4.8800     -0.00000
     13       6.2111     -0.00000
     14       6.8431     -0.00000
     15       7.1833     -0.00000
     16       8.6424      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2036     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2036     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0800      1.00000
      2      -2.1658      1.00000
      3      -0.8387      1.00000
      4      -0.5775      1.00000
      5       0.2453      1.00000
      6       0.8384      1.00000
      7       1.8106      1.00000
      8       1.8701      1.00000
      9       2.6067      1.00026
     10       3.1908      0.40477
     11       4.1136     -0.00000
     12       4.6684     -0.00000
     13       6.0340     -0.00000
     14       6.1398     -0.00000
     15       6.3362     -0.00000
     16       8.2035     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7992      1.00000
      2      -0.7975      1.00000
      3      -0.7657      1.00000
      4       0.0413      1.00000
      5       0.1244      1.00000
      6       0.1271      1.00000
      7       1.1345      1.00000
      8       1.1369      1.00000
      9       1.8199      1.00000
     10       2.6862      1.00172
     11       4.0872     -0.00000
     12       4.0890     -0.00000
     13       5.9444     -0.00000
     14       5.9491     -0.00000
     15       6.0112     -0.00000
     16       8.0079     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.941 -61.923   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.923  33.073  -0.000   0.071  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.150   0.071  -0.000   1.697   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.8216: real time    425.8341
    FORNL :  cpu time      0.4978: real time      0.5039
    FORCOR:  cpu time      1.9540: real time      1.9655
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.912E-07 0.778E-06 0.180E+03   0.395E-13 0.244E-13 -.179E+03   -.161E-06 -.112E-05 -.105E+01
   -.630E-06 -.368E-06 0.909E+02   0.336E-14 0.786E-14 -.909E+02   0.543E-06 0.696E-06 -.583E-01
   0.173E-05 0.129E-05 -.127E+00   -.139E-12 -.830E-13 0.122E+00   -.185E-05 -.117E-05 0.955E-02
   0.358E-06 -.877E-06 -.911E+02   0.130E-12 0.790E-13 0.910E+02   -.199E-06 0.865E-06 0.782E-01
   -.495E-05 -.257E-05 -.179E+03   -.442E-13 -.252E-13 0.179E+03   0.449E-05 0.338E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.247E-05 -.129E-05 0.184E-02   -.971E-14 0.313E-14 0.000E+00   0.282E-05 0.265E-05 -.227E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.016076
      0.00000      0.00000      2.37815        -0.000000      0.000000      0.007496
      1.42873      0.82488      4.71556        -0.000000     -0.000000      0.004026
      2.85746      1.64976      7.05494         0.000001     -0.000000     -0.000612
      0.00000      0.00000      9.43976        -0.000000      0.000001      0.005166
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000002     -0.000898


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90574875 eV

  energy  without entropy=      -13.90234468  energy(sigma->0) =      -13.90461406
 
 d Force = 0.2163927E-04[ 0.142E-04, 0.291E-04]  d Energy = 0.2651347E-04-0.487E-05
 d Force = 0.3910694E+00[ 0.391E+00, 0.391E+00]  d Ewald  = 0.3910694E+00-0.214E-09


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9516: real time      1.9632


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.480E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   4.0909
 eigenvalue spectrum of G is  4.0909


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0564
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0839: real time      0.0843
    POTLOK:  cpu time      1.9519: real time      1.9644
    EDDIAG:  cpu time    595.1680: real time    600.1338
    CHARGE:  cpu time      0.2688: real time      0.2712
 writing wavefunctions
     LOOP+:  cpu time   4589.3550: real time   4628.2995


--------------------------------------- Iteration     79(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7304
    SETDIJ:  cpu time      1.2309: real time      1.2362
    TRIAL :  cpu time    593.6426: real time    598.7766
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    595.8813: real time    601.0298

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6414193E-06  (-0.7370363E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013983 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36823352
  -Hartree energ DENC   =      -684.46743142
  -exchange      EXHF   =        33.16892851
  -V(xc)+E(xc)   XCENC  =       -83.58054549
  PAW double counting   =    100921.26930414  -100820.30561791
  entropy T*S    EENTRO =        -0.00342704
  eigenvalues    EBANDS =       -34.93658404
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574600 eV

  energy without entropy =      -13.90231896  energy(sigma->0) =      -13.90460365
  exchange ACFDT corr.  =        -0.00351476  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     79(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2308: real time      1.2360
    TRIAL :  cpu time    593.0028: real time    598.1202
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.8868: real time    594.8790
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time   1185.1156: real time   1195.2388

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3554334E-05  (-0.1213736E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013974 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36823352
  -Hartree energ DENC   =      -684.53050006
  -exchange      EXHF   =        33.16911826
  -V(xc)+E(xc)   XCENC  =       -83.58049147
  PAW double counting   =    100923.27503650  -100822.31135213
  entropy T*S    EENTRO =        -0.00343054
  eigenvalues    EBANDS =       -34.87371145
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574955 eV

  energy without entropy =      -13.90231901  energy(sigma->0) =      -13.90460604
  exchange ACFDT corr.  =        -0.00355766  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9375


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8925       2 -69.7848       3 -69.7898       4 -69.7852       5 -69.8948
 
 
 
 E-fermi :   3.1678     XC(G=0):  -5.1331     alpha+bet : -8.9779

 Fermi energy:         3.1677529149

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8293      1.00000
      2      -9.9279      1.00000
      3      -8.5876      1.00000
      4      -6.7671      1.00000
      5      -4.3832      1.00000
      6      -1.6074      1.00000
      7       1.5363      1.00000
      8       4.5582     -0.00000
      9       5.3895     -0.00000
     10       7.9139     -0.00000
     11       7.9435     -0.00000
     12      11.8752      0.00000
     13      12.1512      0.00000
     14      16.1213      0.00000
     15      16.1236      0.00000
     16      16.1277      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4802      0.00000
     16      12.7566      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4802      0.00000
     16      12.7567      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4803      0.00000
     16      12.7585      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5604      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5604      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5606      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7873      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7872      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7870      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1310      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6138      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1310      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6137      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1310      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6139      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0167      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0304      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0417      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39651
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8160      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8179      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7032      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8179      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8198      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7032      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8273      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8305      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6429      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6429      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6430      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40438
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40438
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2038     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7996      1.00000
      2      -0.7977      1.00000
      3      -0.7659      1.00000
      4       0.0423      1.00000
      5       0.1263      1.00000
      6       0.1288      1.00000
      7       1.1354      1.00000
      8       1.1378      1.00000
      9       1.8207      1.00000
     10       2.6863      1.00172
     11       4.0871     -0.00000
     12       4.0890     -0.00000
     13       5.9452     -0.00000
     14       5.9493     -0.00000
     15       6.0119     -0.00000
     16       8.0080     -0.00000
 Fermi energy:         3.1677529149

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8293      1.00000
      2      -9.9279      1.00000
      3      -8.5876      1.00000
      4      -6.7671      1.00000
      5      -4.3832      1.00000
      6      -1.6074      1.00000
      7       1.5363      1.00000
      8       4.5582     -0.00000
      9       5.3895     -0.00000
     10       7.9139     -0.00000
     11       7.9435     -0.00000
     12      11.8752      0.00000
     13      12.1512      0.00000
     14      16.1213      0.00000
     15      16.1229      0.00000
     16      16.1277      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6207      1.00000
      2      -9.7187      1.00000
      3      -8.3773      1.00000
      4      -6.5551      1.00000
      5      -4.1672      1.00000
      6      -1.3971      1.00000
      7       1.7501      1.00000
      8       4.7415     -0.00000
      9       5.5639     -0.00000
     10       8.0821     -0.00000
     11       8.1093     -0.00000
     12      12.0094      0.00000
     13      12.2516      0.00000
     14      13.1742      0.00000
     15      13.9073      0.00000
     16      14.3848      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4803      0.00000
     16      12.7570      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4802      0.00000
     16      12.7566      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9947      1.00000
      2      -9.0907      1.00000
      3      -7.7461      1.00000
      4      -5.9190      1.00000
      5      -3.5199      1.00000
      6      -0.7671      1.00000
      7       2.3788      1.00000
      8       5.2759     -0.00000
      9       6.0824     -0.00000
     10       8.4682     -0.00000
     11       8.5999     -0.00000
     12       9.7718      0.00000
     13      10.3329      0.00000
     14      11.4071      0.00000
     15      12.4802      0.00000
     16      12.7565      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5604      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5605      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9507      1.00000
      2      -8.0431      1.00000
      3      -6.6929      1.00000
      4      -4.8586      1.00000
      5      -2.4467      1.00000
      6       0.2728      1.00000
      7       3.3486     -0.01146
      8       5.6647     -0.00000
      9       6.5286     -0.00000
     10       6.9129     -0.00000
     11       7.0339     -0.00000
     12       8.0974     -0.00000
     13       9.3876      0.00000
     14       9.5593      0.00000
     15       9.7868      0.00000
     16      11.5605      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7871      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7870      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4865      1.00000
      2      -6.5733      1.00000
      3      -5.2162      1.00000
      4      -3.3776      1.00000
      5      -0.9770      1.00000
      6       1.5793      1.00000
      7       2.6046      1.00024
      8       3.5835     -0.00628
      9       4.8263     -0.00000
     10       5.0779     -0.00000
     11       6.5218     -0.00000
     12       7.5896     -0.00000
     13       8.1923     -0.00000
     14       8.6733      0.00000
     15      10.4973      0.00000
     16      10.7869      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5980      1.00000
      2      -4.6789      1.00000
      3      -3.3207      1.00000
      4      -1.5194      1.00000
      5      -0.5993      1.00000
      6       0.1651      1.00000
      7       1.1107      1.00000
      8       2.0348      1.00000
      9       3.6467     -0.00185
     10       3.7317     -0.00025
     11       5.8941     -0.00000
     12       6.6450     -0.00000
     13       8.2188     -0.00000
     14       9.1444      0.00000
     15       9.7337      0.00000
     16      10.4653      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2955      1.00000
      2      -3.2767      1.00000
      3      -2.3768      1.00000
      4      -2.3703      1.00000
      5      -1.2522      1.00000
      6      -0.8678      1.00000
      7       0.6418      1.00000
      8       1.3751      1.00000
      9       3.3482     -0.01121
     10       3.4787     -0.02549
     11       5.6684     -0.00000
     12       6.0022     -0.00000
     13       8.3439     -0.00000
     14       8.8177      0.00000
     15      10.2976      0.00000
     16      10.5258      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1311      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6138      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1311      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6137      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2034      1.00000
      2      -9.3001      1.00000
      3      -7.9566      1.00000
      4      -6.1311      1.00000
      5      -3.7355      1.00000
      6      -0.9769      1.00000
      7       2.1718      1.00000
      8       5.1019     -0.00000
      9       5.9109     -0.00000
     10       8.4088     -0.00000
     11       8.4206     -0.00000
     12      11.4868      0.00000
     13      11.5022      0.00000
     14      11.9258      0.00000
     15      12.0600      0.00000
     16      12.6147      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3685      1.00000
      2      -8.4623      1.00000
      3      -7.1144      1.00000
      4      -5.2827      1.00000
      5      -2.8748      1.00000
      6      -0.1403      1.00000
      7       2.9831      1.01579
      8       5.7635     -0.00000
      9       6.5818     -0.00000
     10       7.9114     -0.00000
     11       8.6349      0.00000
     12       8.9928      0.00000
     13       9.4101      0.00000
     14       9.8653      0.00000
     15      10.2248      0.00000
     16      10.7763      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1146      1.00000
      2      -7.2038      1.00000
      3      -5.8494      1.00000
      4      -4.0112      1.00000
      5      -1.5978      1.00000
      6       1.0817      1.00000
      7       3.8093     -0.00003
      8       4.7008     -0.00000
      9       5.4477     -0.00000
     10       6.5366     -0.00000
     11       7.0388     -0.00000
     12       7.6768     -0.00000
     13       8.1845     -0.00000
     14       8.9501      0.00000
     15       9.6414      0.00000
     16       9.9936      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4386      1.00000
      2      -5.5216      1.00000
      3      -4.1617      1.00000
      4      -2.3293      1.00000
      5      -0.0152      1.00000
      6       1.0668      1.00000
      7       2.0305      1.00000
      8       2.9907      1.00949
      9       3.5519     -0.01042
     10       5.1945     -0.00000
     11       5.8443     -0.00000
     12       7.3015     -0.00000
     13       7.9975     -0.00000
     14       8.6288      0.00000
     15       9.0842      0.00000
     16       9.1595      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4178      1.00000
      3      -2.0761      1.00000
      4      -1.8231      1.00000
      5      -0.9771      1.00000
      6      -0.3458      1.00000
      7       0.6667      1.00000
      8       2.2714      1.00000
      9       2.6406      1.00060
     10       4.7069     -0.00000
     11       4.8837     -0.00000
     12       7.0285     -0.00000
     13       7.4800     -0.00000
     14       8.0263     -0.00000
     15       8.8740      0.00000
     16       9.6755      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0164      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0233      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3239      1.00000
      2      -7.4139      1.00000
      3      -6.0605      1.00000
      4      -4.2228      1.00000
      5      -1.8081      1.00000
      6       0.8887      1.00000
      7       3.8976     -0.00000
      8       6.0414     -0.00000
      9       6.5504     -0.00000
     10       7.2650     -0.00000
     11       7.3254     -0.00000
     12       7.5435     -0.00000
     13       7.5855     -0.00000
     14       8.4122     -0.00000
     15       8.7697      0.00000
     16      10.0190      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39651
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39651
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39651
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39651
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8588      1.00000
      2      -5.9432      1.00000
      3      -4.5837      1.00000
      4      -2.7451      1.00000
      5      -0.3556      1.00000
      6       2.1660      1.00000
      7       3.1945      0.39650
      8       4.1587     -0.00000
      9       5.1067     -0.00000
     10       5.3939     -0.00000
     11       5.9237     -0.00000
     12       6.5063     -0.00000
     13       7.0233     -0.00000
     14       7.7663     -0.00000
     15       8.3673     -0.00000
     16       8.7370      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8137      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8151      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8179      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8183      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8220      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0493      1.00000
      3      -2.6920      1.00000
      4      -0.9005      1.00000
      5       0.0172      1.00000
      6       0.7670      1.00000
      7       1.7031      1.00000
      8       2.6091      1.00028
      9       4.0829     -0.00000
     10       4.2650     -0.00000
     11       4.9189     -0.00000
     12       5.7672     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4698     -0.00000
     16       8.8236      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7576      1.00000
      4      -1.7425      1.00000
      5      -0.6378      1.00000
      6      -0.2544      1.00000
      7       1.2430      1.00000
      8       1.9688      1.00000
      9       3.7548     -0.00014
     10       3.8806     -0.00000
     11       4.7625     -0.00000
     12       5.7910     -0.00000
     13       6.3905     -0.00000
     14       6.7475     -0.00000
     15       7.1513     -0.00000
     16       8.6709      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6429      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6429      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2603      1.00000
      3      -2.9003      1.00000
      4      -1.0847      1.00000
      5       1.1266      1.00000
      6       2.1657      1.00000
      7       2.3318      1.00000
      8       3.0471      0.92464
      9       3.4984     -0.02085
     10       4.2536     -0.00000
     11       4.4982     -0.00000
     12       4.8807     -0.00000
     13       6.2111     -0.00000
     14       6.8430     -0.00000
     15       7.1839     -0.00000
     16       8.6429      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40438
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40438
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2040     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2040     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1642      1.00000
      3      -0.8379      1.00000
      4      -0.5777      1.00000
      5       0.2467      1.00000
      6       0.8387      1.00000
      7       1.8108      1.00000
      8       1.8703      1.00000
      9       2.6081      1.00027
     10       3.1913      0.40439
     11       4.1141     -0.00000
     12       4.6691     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3365     -0.00000
     16       8.2039     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7996      1.00000
      2      -0.7977      1.00000
      3      -0.7659      1.00000
      4       0.0423      1.00000
      5       0.1263      1.00000
      6       0.1288      1.00000
      7       1.1354      1.00000
      8       1.1378      1.00000
      9       1.8207      1.00000
     10       2.6863      1.00172
     11       4.0871     -0.00000
     12       4.0890     -0.00000
     13       5.9452     -0.00000
     14       5.9493     -0.00000
     15       6.0119     -0.00000
     16       8.0082     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.940 -61.923   0.000  -0.150   0.000  -0.000  -0.011  -0.000
-61.923  33.073  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.150   0.072   0.000   1.696  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.062   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.8798: real time    426.9834
    FORNL :  cpu time      0.4967: real time      0.5026
    FORCOR:  cpu time      1.9497: real time      1.9614
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.202E-05 0.432E-05 0.180E+03   0.438E-13 0.260E-13 -.179E+03   -.255E-05 -.456E-05 -.105E+01
   0.899E-06 -.113E-05 0.910E+02   0.175E-14 0.337E-14 -.909E+02   -.245E-06 0.117E-05 -.675E-01
   0.116E-05 0.949E-06 -.127E+00   -.139E-12 -.790E-13 0.121E+00   -.140E-05 -.813E-06 0.970E-02
   0.684E-06 0.661E-06 -.911E+02   0.123E-12 0.764E-13 0.910E+02   -.630E-06 -.153E-05 0.877E-01
   -.585E-05 -.150E-05 -.180E+03   -.393E-13 -.236E-13 0.179E+03   0.582E-05 0.206E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.151E-06 0.406E-05 -.215E-02   -.971E-14 0.313E-14 0.284E-13   0.100E-05 -.368E-05 0.697E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.011207
      0.00000      0.00000      2.37839        -0.000000     -0.000000      0.007533
      1.42873      0.82488      4.71555        -0.000001      0.000000      0.003677
      2.85746      1.64976      7.05466         0.000000     -0.000001      0.001748
      0.00000      0.00000      9.43970         0.000000      0.000001     -0.001751
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000000     -0.001685


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90574955 eV

  energy  without entropy=      -13.90231901  energy(sigma->0) =      -13.90460604
 
 d Force = 0.1506187E-05[ 0.138E-05, 0.163E-05]  d Energy = 0.8041097E-06 0.702E-06
 d Force =-0.5828005E-01[-0.583E-01,-0.583E-01]  d Ewald  =-0.5828005E-01 0.106E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9529: real time      1.9651


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.369E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.5464
 eigenvalue spectrum of G is  4.5570  0.5357


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0758
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0846: real time      0.0850
    POTLOK:  cpu time      1.9524: real time      1.9648
    EDDIAG:  cpu time    590.5106: real time    595.4997
    CHARGE:  cpu time      0.2682: real time      0.2704
 writing wavefunctions
     LOOP+:  cpu time   2803.0421: real time   2826.7898


--------------------------------------- Iteration     80(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7284
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    588.9920: real time    594.0857
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2684: real time      0.2706
    --------------------------------------------
      LOOP:  cpu time    591.2278: real time    596.3362

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1478310E-03  (-0.3746314E-03)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013945 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.14686385
  -exchange      EXHF   =        33.16798804
  -V(xc)+E(xc)   XCENC  =       -83.58094144
  PAW double counting   =    100921.68418710  -100820.72047808
  entropy T*S    EENTRO =        -0.00345099
  eigenvalues    EBANDS =       -35.34359965
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90559817 eV

  energy without entropy =      -13.90214717  energy(sigma->0) =      -13.90444784
  exchange ACFDT corr.  =        -0.00347953  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7232: real time      0.7293
    SETDIJ:  cpu time      1.2292: real time      1.2349
    TRIAL :  cpu time    590.6881: real time    595.8133
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time    592.9137: real time    598.0530

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1372946E-03  ( 0.2009028E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013944 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.69754763
  -exchange      EXHF   =        33.16944785
  -V(xc)+E(xc)   XCENC  =       -83.58039302
  PAW double counting   =    100929.09598445  -100828.13230957
  entropy T*S    EENTRO =        -0.00346800
  eigenvalues    EBANDS =       -34.79496000
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573546 eV

  energy without entropy =      -13.90226746  energy(sigma->0) =      -13.90457946
  exchange ACFDT corr.  =        -0.00356810  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7284
    SETDIJ:  cpu time      1.2292: real time      1.2347
    TRIAL :  cpu time    592.5344: real time    597.6713
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.7593: real time    599.9102

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3622717E-04  (-0.1003624E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013937 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.84469750
  -exchange      EXHF   =        33.16998807
  -V(xc)+E(xc)   XCENC  =       -83.58019011
  PAW double counting   =    100932.40165950  -100831.43801185
  entropy T*S    EENTRO =        -0.00343871
  eigenvalues    EBANDS =       -34.64847279
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569923 eV

  energy without entropy =      -13.90226053  energy(sigma->0) =      -13.90455300
  exchange ACFDT corr.  =        -0.00356319  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2305: real time      1.2358
    TRIAL :  cpu time    593.9508: real time    599.0339
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    596.1766: real time    601.2734

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5118166E-04  (-0.1704103E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013924 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.60626643
  -exchange      EXHF   =        33.16953177
  -V(xc)+E(xc)   XCENC  =       -83.58036123
  PAW double counting   =    100931.51565285  -100830.55197245
  entropy T*S    EENTRO =        -0.00342344
  eigenvalues    EBANDS =       -34.88638966
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575042 eV

  energy without entropy =      -13.90232698  energy(sigma->0) =      -13.90460927
  exchange ACFDT corr.  =        -0.00353432  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2297: real time      1.2350
    TRIAL :  cpu time    591.1138: real time    596.1706
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2690: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    593.3388: real time    598.4092

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1280697E-04  (-0.2013660E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013907 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.47701037
  -exchange      EXHF   =        33.16926979
  -V(xc)+E(xc)   XCENC  =       -83.58045671
  PAW double counting   =    100932.13051018  -100831.16682022
  entropy T*S    EENTRO =        -0.00343608
  eigenvalues    EBANDS =       -35.01530028
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573761 eV

  energy without entropy =      -13.90230152  energy(sigma->0) =      -13.90459225
  exchange ACFDT corr.  =        -0.00351929  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7236: real time      0.7297
    SETDIJ:  cpu time      1.2307: real time      1.2359
    TRIAL :  cpu time    592.2630: real time    597.3453
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.4912: real time    599.5869

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1272743E-04  (-0.5277419E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013889 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.57074632
  -exchange      EXHF   =        33.16948954
  -V(xc)+E(xc)   XCENC  =       -83.58036808
  PAW double counting   =    100935.40177806  -100834.43808678
  entropy T*S    EENTRO =        -0.00344812
  eigenvalues    EBANDS =       -34.92187412
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575034 eV

  energy without entropy =      -13.90230222  energy(sigma->0) =      -13.90460096
  exchange ACFDT corr.  =        -0.00356616  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     80(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2309: real time      1.2362
    TRIAL :  cpu time    593.5939: real time    598.6734
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    596.5933: real time    601.5760
    CHARGE:  cpu time      0.2697: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time   1192.4145: real time   1202.4903

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1683482E-05  (-0.2618155E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013878 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.45610920
  -Hartree energ DENC   =      -684.66098297
  -exchange      EXHF   =        33.16958714
  -V(xc)+E(xc)   XCENC  =       -83.58029293
  PAW double counting   =    100938.48545012  -100837.52177139
  entropy T*S    EENTRO =        -0.00344524
  eigenvalues    EBANDS =       -34.83187355
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574865 eV

  energy without entropy =      -13.90230342  energy(sigma->0) =      -13.90460024
  exchange ACFDT corr.  =        -0.00356881  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0040


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8954       2 -69.7797       3 -69.7804       4 -69.7806       5 -69.8961
 
 
 
 E-fermi :   3.1676     XC(G=0):  -5.1329     alpha+bet : -8.9779

 Fermi energy:         3.1675916957

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8237      1.00000
      2      -9.9260      1.00000
      3      -8.5858      1.00000
      4      -6.7651      1.00000
      5      -4.3810      1.00000
      6      -1.6055      1.00000
      7       1.5381      1.00000
      8       4.5584     -0.00000
      9       5.3862     -0.00000
     10       7.9120     -0.00000
     11       7.9429     -0.00000
     12      11.8745      0.00000
     13      12.1507      0.00000
     14      16.1275      0.00000
     15      16.1294      0.00000
     16      16.1330      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7576      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7577      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7594      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5628      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5628      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5629      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7865      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7865      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7862      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4200     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6141      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4200     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6141      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4200     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6143      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0164      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0294      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0405      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8188      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8206      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8207      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8222      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8296      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8325      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5009     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6440      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5009     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6441      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5010     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6441      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2056     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40420
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2056     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7937      1.00000
      2      -0.7919      1.00000
      3      -0.7605      1.00000
      4       0.0453      1.00000
      5       0.1277      1.00000
      6       0.1304      1.00000
      7       1.1379      1.00000
      8       1.1405      1.00000
      9       1.8213      1.00000
     10       2.6874      1.00172
     11       4.0894     -0.00000
     12       4.0907     -0.00000
     13       5.9466     -0.00000
     14       5.9507     -0.00000
     15       6.0158     -0.00000
     16       8.0091     -0.00000
 Fermi energy:         3.1675916957

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8237      1.00000
      2      -9.9260      1.00000
      3      -8.5858      1.00000
      4      -6.7651      1.00000
      5      -4.3810      1.00000
      6      -1.6055      1.00000
      7       1.5381      1.00000
      8       4.5584     -0.00000
      9       5.3862     -0.00000
     10       7.9120     -0.00000
     11       7.9429     -0.00000
     12      11.8745      0.00000
     13      12.1507      0.00000
     14      16.1275      0.00000
     15      16.1289      0.00000
     16      16.1330      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6150      1.00000
      2      -9.7167      1.00000
      3      -8.3755      1.00000
      4      -6.5531      1.00000
      5      -4.1650      1.00000
      6      -1.3953      1.00000
      7       1.7519      1.00000
      8       4.7417     -0.00000
      9       5.5607     -0.00000
     10       8.0803     -0.00000
     11       8.1086     -0.00000
     12      12.0088      0.00000
     13      12.2512      0.00000
     14      13.1798      0.00000
     15      13.9093      0.00000
     16      14.3906      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7580      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7577      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9890      1.00000
      2      -9.0888      1.00000
      3      -7.7443      1.00000
      4      -5.9169      1.00000
      5      -3.5178      1.00000
      6      -0.7653      1.00000
      7       2.3807      1.00000
      8       5.2760     -0.00000
      9       6.0791     -0.00000
     10       8.4677     -0.00000
     11       8.5985     -0.00000
     12       9.7770      0.00000
     13      10.3346      0.00000
     14      11.4088      0.00000
     15      12.4801      0.00000
     16      12.7575      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5628      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5629      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9450      1.00000
      2      -8.0411      1.00000
      3      -6.6911      1.00000
      4      -4.8565      1.00000
      5      -2.4446      1.00000
      6       0.2747      1.00000
      7       3.3505     -0.01193
      8       5.6676     -0.00000
      9       6.5298     -0.00000
     10       6.9154     -0.00000
     11       7.0316     -0.00000
     12       8.0991     -0.00000
     13       9.3867      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5628      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7863      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7863      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4808      1.00000
      2      -6.5713      1.00000
      3      -5.2143      1.00000
      4      -3.3755      1.00000
      5      -0.9748      1.00000
      6       1.5817      1.00000
      7       2.6092      1.00024
      8       3.5852     -0.00627
      9       4.8274     -0.00000
     10       5.0809     -0.00000
     11       6.5238     -0.00000
     12       7.5898     -0.00000
     13       8.1892     -0.00000
     14       8.6755      0.00000
     15      10.4965      0.00000
     16      10.7861      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5924      1.00000
      2      -4.6769      1.00000
      3      -3.3188      1.00000
      4      -1.5173      1.00000
      5      -0.5935      1.00000
      6       0.1671      1.00000
      7       1.1121      1.00000
      8       2.0366      1.00000
      9       3.6482     -0.00185
     10       3.7344     -0.00025
     11       5.8961     -0.00000
     12       6.6468     -0.00000
     13       8.2206     -0.00000
     14       9.1446      0.00000
     15       9.7306      0.00000
     16      10.4710      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2898      1.00000
      2      -3.2711      1.00000
      3      -2.3752      1.00000
      4      -2.3678      1.00000
      5      -1.2499      1.00000
      6      -0.8663      1.00000
      7       0.6434      1.00000
      8       1.3772      1.00000
      9       3.3495     -0.01148
     10       3.4818     -0.02539
     11       5.6698     -0.00000
     12       6.0043     -0.00000
     13       8.3457     -0.00000
     14       8.8194      0.00000
     15      10.3034      0.00000
     16      10.5272      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4201     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6142      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4201     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6140      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1977      1.00000
      2      -9.2981      1.00000
      3      -7.9547      1.00000
      4      -6.1290      1.00000
      5      -3.7333      1.00000
      6      -0.9751      1.00000
      7       2.1736      1.00000
      8       5.1021     -0.00000
      9       5.9077     -0.00000
     10       8.4070     -0.00000
     11       8.4200     -0.00000
     12      11.4926      0.00000
     13      11.5073      0.00000
     14      11.9272      0.00000
     15      12.0611      0.00000
     16      12.6150      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3628      1.00000
      2      -8.4604      1.00000
      3      -7.1126      1.00000
      4      -5.2807      1.00000
      5      -2.8727      1.00000
      6      -0.1384      1.00000
      7       2.9850      1.01533
      8       5.7638     -0.00000
      9       6.5787     -0.00000
     10       7.9153     -0.00000
     11       8.6373      0.00000
     12       8.9920      0.00000
     13       9.4101      0.00000
     14       9.8669      0.00000
     15      10.2297      0.00000
     16      10.7783      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1089      1.00000
      2      -7.2019      1.00000
      3      -5.8476      1.00000
      4      -4.0091      1.00000
      5      -1.5957      1.00000
      6       1.0836      1.00000
      7       3.8126     -0.00003
      8       4.7040     -0.00000
      9       5.4499     -0.00000
     10       6.5390     -0.00000
     11       7.0389     -0.00000
     12       7.6737     -0.00000
     13       8.1864     -0.00000
     14       8.9544      0.00000
     15       9.6437      0.00000
     16       9.9951      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9921      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9921      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4329      1.00000
      2      -5.5197      1.00000
      3      -4.1598      1.00000
      4      -2.3272      1.00000
      5      -0.0126      1.00000
      6       1.0720      1.00000
      7       2.0323      1.00000
      8       2.9920      1.00935
      9       3.5542     -0.01040
     10       5.1968     -0.00000
     11       5.8462     -0.00000
     12       7.3041     -0.00000
     13       8.0001     -0.00000
     14       8.6304      0.00000
     15       9.0818      0.00000
     16       9.1617      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3315      1.00000
      2      -3.4159      1.00000
      3      -2.0742      1.00000
      4      -1.8175      1.00000
      5      -0.9748      1.00000
      6      -0.3439      1.00000
      7       0.6682      1.00000
      8       2.2727      1.00000
      9       2.6435      1.00060
     10       4.7093     -0.00000
     11       4.8854     -0.00000
     12       7.0309     -0.00000
     13       7.4825     -0.00000
     14       8.0291     -0.00000
     15       8.8763      0.00000
     16       9.6766      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0161      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0227      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3182      1.00000
      2      -7.4119      1.00000
      3      -6.0587      1.00000
      4      -4.2207      1.00000
      5      -1.8059      1.00000
      6       0.8906      1.00000
      7       3.8995     -0.00000
      8       6.0445     -0.00000
      9       6.5542     -0.00000
     10       7.2672     -0.00000
     11       7.3287     -0.00000
     12       7.5448     -0.00000
     13       7.5833     -0.00000
     14       8.4137     -0.00000
     15       8.7719      0.00000
     16      10.0185      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8531      1.00000
      2      -5.9412      1.00000
      3      -4.5819      1.00000
      4      -2.7430      1.00000
      5      -0.3534      1.00000
      6       2.1685      1.00000
      7       3.1991      0.39749
      8       4.1604     -0.00000
      9       5.1104     -0.00000
     10       5.3960     -0.00000
     11       5.9265     -0.00000
     12       6.5084     -0.00000
     13       7.0255     -0.00000
     14       7.7681     -0.00000
     15       8.3675     -0.00000
     16       8.7341      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8165      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8180      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8206      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8209      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8246      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9639      1.00000
      2      -4.0473      1.00000
      3      -2.6901      1.00000
      4      -0.8984      1.00000
      5       0.0230      1.00000
      6       0.7691      1.00000
      7       1.7047      1.00000
      8       2.6109      1.00028
      9       4.0844     -0.00000
     10       4.2684     -0.00000
     11       4.9236     -0.00000
     12       5.7690     -0.00000
     13       6.6180     -0.00000
     14       7.4011     -0.00000
     15       7.4728     -0.00000
     16       8.8258      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6637      1.00000
      2      -2.6448      1.00000
      3      -1.7551      1.00000
      4      -1.7409      1.00000
      5      -0.6355      1.00000
      6      -0.2529      1.00000
      7       1.2446      1.00000
      8       1.9708      1.00000
      9       3.7563     -0.00014
     10       3.8848     -0.00000
     11       4.7669     -0.00000
     12       5.7922     -0.00000
     13       6.3912     -0.00000
     14       6.7497     -0.00000
     15       7.1536     -0.00000
     16       8.6733      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5009     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6440      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5009     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6440      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1749      1.00000
      2      -4.2583      1.00000
      3      -2.8985      1.00000
      4      -1.0826      1.00000
      5       1.1293      1.00000
      6       2.1715      1.00000
      7       2.3366      1.00000
      8       3.0494      0.92471
      9       3.4992     -0.02083
     10       4.2549     -0.00000
     11       4.5009     -0.00000
     12       4.8825     -0.00000
     13       6.2127     -0.00000
     14       6.8453     -0.00000
     15       7.1858     -0.00000
     16       8.6440      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40420
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40420
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2058     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0746      1.00000
      2      -2.1622      1.00000
      3      -0.8358      1.00000
      4      -0.5722      1.00000
      5       0.2490      1.00000
      6       0.8407      1.00000
      7       1.8145      1.00000
      8       1.8742      1.00000
      9       2.6098      1.00027
     10       3.1927      0.40421
     11       4.1165     -0.00000
     12       4.6704     -0.00000
     13       6.0353     -0.00000
     14       6.1424     -0.00000
     15       6.3392     -0.00000
     16       8.2057     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7937      1.00000
      2      -0.7919      1.00000
      3      -0.7605      1.00000
      4       0.0453      1.00000
      5       0.1277      1.00000
      6       0.1304      1.00000
      7       1.1379      1.00000
      8       1.1405      1.00000
      9       1.8213      1.00000
     10       2.6874      1.00172
     11       4.0894     -0.00000
     12       4.0907     -0.00000
     13       5.9466     -0.00000
     14       5.9507     -0.00000
     15       6.0158     -0.00000
     16       8.0094     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.943 -61.924   0.000  -0.151   0.000  -0.000  -0.011  -0.000
-61.924  33.074  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.151   0.072   0.000   1.696  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.062   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.3234: real time    428.4060
    FORNL :  cpu time      0.4988: real time      0.5048
    FORCOR:  cpu time      1.9507: real time      1.9621
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.206E-05 0.692E-06 0.180E+03   0.366E-13 0.304E-13 -.179E+03   -.230E-05 -.105E-05 -.105E+01
   0.106E-05 0.625E-06 0.910E+02   0.488E-14 0.454E-15 -.909E+02   -.980E-06 -.601E-06 -.629E-01
   0.425E-06 -.597E-06 -.126E+00   -.138E-12 -.802E-13 0.120E+00   -.733E-06 0.221E-06 0.102E-01
   -.297E-07 0.211E-05 -.911E+02   0.134E-12 0.797E-13 0.910E+02   0.172E-06 -.259E-05 0.815E-01
   -.227E-05 0.846E-06 -.180E+03   -.473E-13 -.272E-13 0.179E+03   0.216E-05 -.672E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.218E-05 0.441E-05 -.237E-02   -.971E-14 0.313E-14 -.284E-13   -.168E-05 -.469E-05 0.147E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.010695
      0.00000      0.00000      2.37855        -0.000000      0.000000      0.011450
      1.42873      0.82488      4.71550        -0.000000     -0.000000      0.003887
      2.85746      1.64976      7.05450         0.000000     -0.000000     -0.003945
      0.00000      0.00000      9.43937        -0.000000      0.000000     -0.000698
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.002365


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90574865 eV

  energy  without entropy=      -13.90230342  energy(sigma->0) =      -13.90460024
 
 d Force = 0.1914501E-05[ 0.250E-05, 0.133E-05]  d Energy =-0.8992938E-06 0.281E-05
 d Force =-0.8787568E-01[-0.879E-01,-0.879E-01]  d Ewald  =-0.8787568E-01 0.438E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9533: real time      1.9650


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.783E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.5750
 eigenvalue spectrum of G is  0.0839  1.0661


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0871
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9499: real time      1.9626
    EDDIAG:  cpu time    594.7141: real time    599.7293
    CHARGE:  cpu time      0.2685: real time      0.2708
 writing wavefunctions
     LOOP+:  cpu time   5783.0125: real time   5832.1633


--------------------------------------- Iteration     81(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7281
    SETDIJ:  cpu time      1.2275: real time      1.2328
    TRIAL :  cpu time    592.7491: real time    597.8804
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    594.9823: real time    600.1285

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1663754E-03  (-0.4123223E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013895 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -683.98220099
  -exchange      EXHF   =        33.16760130
  -V(xc)+E(xc)   XCENC  =       -83.58107009
  PAW double counting   =    100930.61191663  -100829.64816946
  entropy T*S    EENTRO =        -0.00342346
  eigenvalues    EBANDS =       -35.33302480
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90558396 eV

  energy without entropy =      -13.90216050  energy(sigma->0) =      -13.90444281
  exchange ACFDT corr.  =        -0.00345329  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7293
    SETDIJ:  cpu time      1.2286: real time      1.2340
    TRIAL :  cpu time    592.1995: real time    597.3146
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2688: real time      0.2709
    --------------------------------------------
      LOOP:  cpu time    594.4243: real time    599.5532

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1438458E-03  ( 0.4305347E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013914 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.53782248
  -exchange      EXHF   =        33.16894086
  -V(xc)+E(xc)   XCENC  =       -83.58055703
  PAW double counting   =    100936.48736330  -100835.52365977
  entropy T*S    EENTRO =        -0.00344131
  eigenvalues    EBANDS =       -34.77928622
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572781 eV

  energy without entropy =      -13.90228650  energy(sigma->0) =      -13.90458070
  exchange ACFDT corr.  =        -0.00355598  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2300: real time      1.2353
    TRIAL :  cpu time    592.2360: real time    597.2865
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    594.4624: real time    599.5264

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3028623E-04  (-0.1066651E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013932 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.67952635
  -exchange      EXHF   =        33.16932844
  -V(xc)+E(xc)   XCENC  =       -83.58040309
  PAW double counting   =    100937.21131622  -100836.24762716
  entropy T*S    EENTRO =        -0.00341147
  eigenvalues    EBANDS =       -34.63806127
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569752 eV

  energy without entropy =      -13.90228605  energy(sigma->0) =      -13.90456036
  exchange ACFDT corr.  =        -0.00353839  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7283
    SETDIJ:  cpu time      1.2305: real time      1.2359
    TRIAL :  cpu time    595.8308: real time    600.9512
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    598.0581: real time    603.1923

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5461577E-04  (-0.5665950E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013942 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.43080596
  -exchange      EXHF   =        33.16875694
  -V(xc)+E(xc)   XCENC  =       -83.58061493
  PAW double counting   =    100933.62746985  -100832.66376708
  entropy T*S    EENTRO =        -0.00339577
  eigenvalues    EBANDS =       -34.88609650
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575214 eV

  energy without entropy =      -13.90235636  energy(sigma->0) =      -13.90462021
  exchange ACFDT corr.  =        -0.00350877  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7286
    SETDIJ:  cpu time      1.2280: real time      1.2334
    TRIAL :  cpu time    593.6004: real time    598.7073
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    595.8245: real time    600.9455

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1270344E-04  (-0.2330932E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013939 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.29846727
  -exchange      EXHF   =        33.16845035
  -V(xc)+E(xc)   XCENC  =       -83.58072668
  PAW double counting   =    100932.09257093  -100831.12886377
  entropy T*S    EENTRO =        -0.00340825
  eigenvalues    EBANDS =       -35.01802423
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573943 eV

  energy without entropy =      -13.90233118  energy(sigma->0) =      -13.90460335
  exchange ACFDT corr.  =        -0.00349333  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2298: real time      1.2357
    TRIAL :  cpu time    591.1579: real time    596.2395
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    593.3849: real time    598.4807

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1438647E-04  (-0.5565071E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013933 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.39619284
  -exchange      EXHF   =        33.16868268
  -V(xc)+E(xc)   XCENC  =       -83.58063319
  PAW double counting   =    100934.00339760  -100833.03969204
  entropy T*S    EENTRO =        -0.00342009
  eigenvalues    EBANDS =       -34.92062480
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575382 eV

  energy without entropy =      -13.90233373  energy(sigma->0) =      -13.90461379
  exchange ACFDT corr.  =        -0.00355088  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     81(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2314: real time      1.2373
    TRIAL :  cpu time    594.3861: real time    599.5107
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    594.4336: real time    599.4524
    CHARGE:  cpu time      0.2685: real time      0.2707
    --------------------------------------------
      LOOP:  cpu time   1191.0461: real time   1201.2039

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1770823E-05  (-0.3346785E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013927 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.28133276
  -Hartree energ DENC   =      -684.49018072
  -exchange      EXHF   =        33.16881590
  -V(xc)+E(xc)   XCENC  =       -83.58054896
  PAW double counting   =    100936.17443692  -100835.21073067
  entropy T*S    EENTRO =        -0.00341684
  eigenvalues    EBANDS =       -34.82692090
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575205 eV

  energy without entropy =      -13.90233521  energy(sigma->0) =      -13.90461310
  exchange ACFDT corr.  =        -0.00355326  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0587


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8972       2 -69.7811       3 -69.7803       4 -69.7788       5 -69.8944
 
 
 
 E-fermi :   3.1680     XC(G=0):  -5.1331     alpha+bet : -8.9779

 Fermi energy:         3.1680221286

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8227      1.00000
      2      -9.9257      1.00000
      3      -8.5856      1.00000
      4      -6.7647      1.00000
      5      -4.3814      1.00000
      6      -1.6055      1.00000
      7       1.5373      1.00000
      8       4.5580     -0.00000
      9       5.3858     -0.00000
     10       7.9117     -0.00000
     11       7.9425     -0.00000
     12      11.8744      0.00000
     13      12.1503      0.00000
     14      16.1285      0.00000
     15      16.1304      0.00000
     16      16.1339      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7577      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7578      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7594      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5625      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5626      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5627      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7862      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7862      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7859      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6141      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6140      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6143      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0162      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0290      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0401      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8188      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8206      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8207      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8220      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8295      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8321      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92475
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92475
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92474
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8152      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8152      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8152      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2053     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7928      1.00000
      2      -0.7907      1.00000
      3      -0.7593      1.00000
      4       0.0458      1.00000
      5       0.1276      1.00000
      6       0.1308      1.00000
      7       1.1378      1.00000
      8       1.1412      1.00000
      9       1.8215      1.00000
     10       2.6878      1.00172
     11       4.0904     -0.00000
     12       4.0904     -0.00000
     13       5.9464     -0.00000
     14       5.9503     -0.00000
     15       6.0153     -0.00000
     16       8.0092     -0.00000
 Fermi energy:         3.1680221286

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8227      1.00000
      2      -9.9257      1.00000
      3      -8.5856      1.00000
      4      -6.7647      1.00000
      5      -4.3814      1.00000
      6      -1.6055      1.00000
      7       1.5373      1.00000
      8       4.5580     -0.00000
      9       5.3858     -0.00000
     10       7.9117     -0.00000
     11       7.9425     -0.00000
     12      11.8744      0.00000
     13      12.1503      0.00000
     14      16.1285      0.00000
     15      16.1300      0.00000
     16      16.1339      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6140      1.00000
      2      -9.7165      1.00000
      3      -8.3753      1.00000
      4      -6.5527      1.00000
      5      -4.1654      1.00000
      6      -1.3953      1.00000
      7       1.7511      1.00000
      8       4.7413     -0.00000
      9       5.5602     -0.00000
     10       8.0800     -0.00000
     11       8.1082     -0.00000
     12      12.0087      0.00000
     13      12.2509      0.00000
     14      13.1807      0.00000
     15      13.9095      0.00000
     16      14.3916      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7581      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7577      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9880      1.00000
      2      -9.0885      1.00000
      3      -7.7441      1.00000
      4      -5.9165      1.00000
      5      -3.5182      1.00000
      6      -0.7653      1.00000
      7       2.3799      1.00000
      8       5.2757     -0.00000
      9       6.0787     -0.00000
     10       8.4675     -0.00000
     11       8.5982     -0.00000
     12       9.7778      0.00000
     13      10.3348      0.00000
     14      11.4089      0.00000
     15      12.4799      0.00000
     16      12.7576      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5625      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5626      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9440      1.00000
      2      -8.0409      1.00000
      3      -6.6909      1.00000
      4      -4.8561      1.00000
      5      -2.4450      1.00000
      6       0.2747      1.00000
      7       3.3498     -0.01116
      8       5.6680     -0.00000
      9       6.5299     -0.00000
     10       6.9155     -0.00000
     11       7.0314     -0.00000
     12       8.0992     -0.00000
     13       9.3866      0.00000
     14       9.5594      0.00000
     15       9.7876      0.00000
     16      11.5626      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7861      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7860      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4798      1.00000
      2      -6.5711      1.00000
      3      -5.2142      1.00000
      4      -3.3751      1.00000
      5      -0.9752      1.00000
      6       1.5819      1.00000
      7       2.6102      1.00024
      8       3.5854     -0.00630
      9       4.8273     -0.00000
     10       5.0804     -0.00000
     11       6.5243     -0.00000
     12       7.5894     -0.00000
     13       8.1888     -0.00000
     14       8.6752      0.00000
     15      10.4963      0.00000
     16      10.7858      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5913      1.00000
      2      -4.6767      1.00000
      3      -3.3187      1.00000
      4      -1.5168      1.00000
      5      -0.5924      1.00000
      6       0.1673      1.00000
      7       1.1120      1.00000
      8       2.0366      1.00000
      9       3.6485     -0.00185
     10       3.7345     -0.00025
     11       5.8958     -0.00000
     12       6.6461     -0.00000
     13       8.2206     -0.00000
     14       9.1443      0.00000
     15       9.7302      0.00000
     16      10.4720      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2887      1.00000
      2      -3.2700      1.00000
      3      -2.3750      1.00000
      4      -2.3675      1.00000
      5      -1.2497      1.00000
      6      -0.8661      1.00000
      7       0.6438      1.00000
      8       1.3775      1.00000
      9       3.3492     -0.01091
     10       3.4814     -0.02555
     11       5.6699     -0.00000
     12       6.0042     -0.00000
     13       8.3449     -0.00000
     14       8.8189      0.00000
     15      10.3044      0.00000
     16      10.5273      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6142      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6140      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1967      1.00000
      2      -9.2979      1.00000
      3      -7.9546      1.00000
      4      -6.1286      1.00000
      5      -3.7337      1.00000
      6      -0.9751      1.00000
      7       2.1728      1.00000
      8       5.1017     -0.00000
      9       5.9073     -0.00000
     10       8.4068     -0.00000
     11       8.4197     -0.00000
     12      11.4937      0.00000
     13      11.5082      0.00000
     14      11.9274      0.00000
     15      12.0611      0.00000
     16      12.6149      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3618      1.00000
      2      -8.4602      1.00000
      3      -7.1124      1.00000
      4      -5.2803      1.00000
      5      -2.8731      1.00000
      6      -0.1384      1.00000
      7       2.9842      1.01607
      8       5.7634     -0.00000
      9       6.5784     -0.00000
     10       7.9162     -0.00000
     11       8.6374      0.00000
     12       8.9919      0.00000
     13       9.4101      0.00000
     14       9.8670      0.00000
     15      10.2304      0.00000
     16      10.7786      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1079      1.00000
      2      -7.2016      1.00000
      3      -5.8474      1.00000
      4      -4.0087      1.00000
      5      -1.5960      1.00000
      6       1.0837      1.00000
      7       3.8127     -0.00003
      8       4.7043     -0.00000
      9       5.4499     -0.00000
     10       6.5392     -0.00000
     11       7.0387     -0.00000
     12       7.6733     -0.00000
     13       8.1868     -0.00000
     14       8.9552      0.00000
     15       9.6439      0.00000
     16       9.9947      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4319      1.00000
      2      -5.5194      1.00000
      3      -4.1596      1.00000
      4      -2.3267      1.00000
      5      -0.0129      1.00000
      6       1.0730      1.00000
      7       2.0325      1.00000
      8       2.9921      1.00965
      9       3.5544     -0.01042
     10       5.1972     -0.00000
     11       5.8456     -0.00000
     12       7.3039     -0.00000
     13       8.0003     -0.00000
     14       8.6305      0.00000
     15       9.0814      0.00000
     16       9.1618      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3304      1.00000
      2      -3.4156      1.00000
      3      -2.0740      1.00000
      4      -1.8164      1.00000
      5      -0.9745      1.00000
      6      -0.3435      1.00000
      7       0.6684      1.00000
      8       2.2727      1.00000
      9       2.6436      1.00060
     10       4.7090     -0.00000
     11       4.8855     -0.00000
     12       7.0311     -0.00000
     13       7.4824     -0.00000
     14       8.0293     -0.00000
     15       8.8763      0.00000
     16       9.6763      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0159      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0224      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3172      1.00000
      2      -7.4117      1.00000
      3      -6.0585      1.00000
      4      -4.2203      1.00000
      5      -1.8063      1.00000
      6       0.8906      1.00000
      7       3.8990     -0.00000
      8       6.0449     -0.00000
      9       6.5549     -0.00000
     10       7.2676     -0.00000
     11       7.3290     -0.00000
     12       7.5448     -0.00000
     13       7.5830     -0.00000
     14       8.4139     -0.00000
     15       8.7721      0.00000
     16      10.0182      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8521      1.00000
      2      -5.9410      1.00000
      3      -4.5817      1.00000
      4      -2.7426      1.00000
      5      -0.3537      1.00000
      6       2.1687      1.00000
      7       3.2000      0.39550
      8       4.1606     -0.00000
      9       5.1108     -0.00000
     10       5.3962     -0.00000
     11       5.9267     -0.00000
     12       6.5085     -0.00000
     13       7.0258     -0.00000
     14       7.7682     -0.00000
     15       8.3673     -0.00000
     16       8.7337      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8165      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8180      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8206      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8209      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8246      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9629      1.00000
      2      -4.0470      1.00000
      3      -2.6899      1.00000
      4      -0.8980      1.00000
      5       0.0241      1.00000
      6       0.7692      1.00000
      7       1.7046      1.00000
      8       2.6110      1.00028
      9       4.0847     -0.00000
     10       4.2687     -0.00000
     11       4.9245     -0.00000
     12       5.7691     -0.00000
     13       6.6179     -0.00000
     14       7.4008     -0.00000
     15       7.4724     -0.00000
     16       8.8254      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6626      1.00000
      2      -2.6436      1.00000
      3      -1.7547      1.00000
      4      -1.7408      1.00000
      5      -0.6353      1.00000
      6      -0.2527      1.00000
      7       1.2450      1.00000
      8       1.9712      1.00000
      9       3.7561     -0.00014
     10       3.8848     -0.00000
     11       4.7676     -0.00000
     12       5.7923     -0.00000
     13       6.3913     -0.00000
     14       6.7496     -0.00000
     15       7.1538     -0.00000
     16       8.6735      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92475
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92475
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1739      1.00000
      2      -4.2581      1.00000
      3      -2.8983      1.00000
      4      -1.0821      1.00000
      5       1.1291      1.00000
      6       2.1725      1.00000
      7       2.3376      1.00000
      8       3.0498      0.92475
      9       3.4993     -0.02090
     10       4.2550     -0.00000
     11       4.5011     -0.00000
     12       4.8826     -0.00000
     13       6.2131     -0.00000
     14       6.8456     -0.00000
     15       7.1852     -0.00000
     16       8.6438      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8152      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8152      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40473
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2055     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0736      1.00000
      2      -2.1619      1.00000
      3      -0.8356      1.00000
      4      -0.5711      1.00000
      5       0.2493      1.00000
      6       0.8411      1.00000
      7       1.8151      1.00000
      8       1.8749      1.00000
      9       2.6099      1.00027
     10       3.1929      0.40474
     11       4.1165     -0.00000
     12       4.6705     -0.00000
     13       6.0352     -0.00000
     14       6.1426     -0.00000
     15       6.3392     -0.00000
     16       8.2054     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7928      1.00000
      2      -0.7907      1.00000
      3      -0.7593      1.00000
      4       0.0458      1.00000
      5       0.1276      1.00000
      6       0.1308      1.00000
      7       1.1378      1.00000
      8       1.1412      1.00000
      9       1.8215      1.00000
     10       2.6878      1.00172
     11       4.0904     -0.00000
     12       4.0904     -0.00000
     13       5.9464     -0.00000
     14       5.9503     -0.00000
     15       6.0153     -0.00000
     16       8.0095     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.946 -61.926  -0.000  -0.150   0.000   0.000  -0.011  -0.000
-61.926  33.075   0.000   0.072  -0.000  -0.000   0.007   0.000
 -0.000   0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.150   0.072   0.000   1.696  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.062   0.000   0.000  -0.320
  0.000  -0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.011   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.2963: real time    426.3524
    FORNL :  cpu time      0.4970: real time      0.5030
    FORCOR:  cpu time      1.9537: real time      1.9655
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.483E-06 -.399E-07 0.180E+03   0.377E-13 0.284E-13 -.179E+03   -.406E-06 -.646E-06 -.105E+01
   0.472E-06 0.110E-05 0.909E+02   0.413E-14 0.128E-14 -.909E+02   -.509E-06 -.754E-06 -.595E-01
   0.745E-06 -.243E-06 -.127E+00   -.141E-12 -.834E-13 0.120E+00   -.101E-05 -.481E-07 0.976E-02
   -.390E-07 0.267E-05 -.911E+02   0.135E-12 0.814E-13 0.910E+02   0.124E-06 -.296E-05 0.795E-01
   -.311E-05 0.189E-05 -.180E+03   -.454E-13 -.245E-13 0.179E+03   0.302E-05 -.173E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.124E-05 0.582E-05 -.667E-02   -.971E-14 0.313E-14 0.000E+00   0.122E-05 -.613E-05 -.217E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000001     -0.000000     -0.009615
      0.00000      0.00000      2.37842        -0.000000      0.000000      0.012771
      1.42873      0.82488      4.71576        -0.000001     -0.000000      0.003201
      2.85746      1.64976      7.05508         0.000000     -0.000000     -0.005431
      0.00000      0.00000      9.43998         0.000000      0.000001     -0.000926
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.007019


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90575205 eV

  energy  without entropy=      -13.90233521  energy(sigma->0) =      -13.90461310
 
 d Force =-0.3894952E-05[-0.458E-05,-0.321E-05]  d Energy = 0.3395617E-05-0.729E-05
 d Force = 0.1747764E+00[ 0.175E+00, 0.175E+00]  d Ewald  = 0.1747764E+00-0.446E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9565: real time      1.9686


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.983E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   6.3544
 eigenvalue spectrum of G is  6.3544


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      1.2231: real time      1.2742
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9582: real time      1.9706
    EDDIAG:  cpu time    592.6742: real time    597.6936
    CHARGE:  cpu time      0.2693: real time      0.2715
 writing wavefunctions
     LOOP+:  cpu time   5787.0383: real time   5836.2294


--------------------------------------- Iteration     82(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7295
    SETDIJ:  cpu time      1.2375: real time      1.2430
    TRIAL :  cpu time    592.5973: real time    597.6995
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    594.8415: real time    599.9589

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6331734E-03  (-0.1104779E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013862 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -684.75217327
  -exchange      EXHF   =        33.16989820
  -V(xc)+E(xc)   XCENC  =       -83.58032394
  PAW double counting   =    100941.09983503  -100840.13637203
  entropy T*S    EENTRO =        -0.00357853
  eigenvalues    EBANDS =       -35.47644932
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90512065 eV

  energy without entropy =      -13.90154212  energy(sigma->0) =      -13.90392780
  exchange ACFDT corr.  =        -0.00358217  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7217: real time      0.7279
    SETDIJ:  cpu time      1.2419: real time      1.2477
    TRIAL :  cpu time    597.0692: real time    602.2167
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    599.3071: real time    604.4688

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2403126E-03  (-0.4533320E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013864 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.41971784
  -exchange      EXHF   =        33.17196064
  -V(xc)+E(xc)   XCENC  =       -83.57957786
  PAW double counting   =    100947.71634931  -100846.75297757
  entropy T*S    EENTRO =        -0.00359869
  eigenvalues    EBANDS =       -34.81178291
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90536096 eV

  energy without entropy =      -13.90176227  energy(sigma->0) =      -13.90416139
  exchange ACFDT corr.  =        -0.00363027  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7289
    SETDIJ:  cpu time      1.2406: real time      1.2460
    TRIAL :  cpu time    593.9507: real time    599.0629
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    596.1880: real time    601.3144

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1780342E-03  (-0.1879891E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013848 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.60683970
  -exchange      EXHF   =        33.17293321
  -V(xc)+E(xc)   XCENC  =       -83.57924353
  PAW double counting   =    100949.16780893  -100848.20443878
  entropy T*S    EENTRO =        -0.00356552
  eigenvalues    EBANDS =       -34.62612423
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90553899 eV

  energy without entropy =      -13.90197348  energy(sigma->0) =      -13.90435049
  exchange ACFDT corr.  =        -0.00368535  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2373: real time      1.2431
    TRIAL :  cpu time    595.4017: real time    600.5323
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    597.6359: real time    602.7806

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1060331E-03  (-0.1157904E-03)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013826 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.33511435
  -exchange      EXHF   =        33.17262269
  -V(xc)+E(xc)   XCENC  =       -83.57938173
  PAW double counting   =    100946.18384361  -100845.22041543
  entropy T*S    EENTRO =        -0.00354959
  eigenvalues    EBANDS =       -34.89759808
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90564503 eV

  energy without entropy =      -13.90209544  energy(sigma->0) =      -13.90446183
  exchange ACFDT corr.  =        -0.00365197  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7285
    SETDIJ:  cpu time      1.2293: real time      1.2347
    TRIAL :  cpu time    592.6454: real time    597.7347
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    594.8705: real time    599.9740

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8174684E-05  (-0.9249891E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013800 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.18613920
  -exchange      EXHF   =        33.17243114
  -V(xc)+E(xc)   XCENC  =       -83.57946159
  PAW double counting   =    100944.97356801  -100844.01009704
  entropy T*S    EENTRO =        -0.00356662
  eigenvalues    EBANDS =       -35.04636873
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90565320 eV

  energy without entropy =      -13.90208658  energy(sigma->0) =      -13.90446433
  exchange ACFDT corr.  =        -0.00363356  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7290
    SETDIJ:  cpu time      1.2379: real time      1.2433
    TRIAL :  cpu time    594.9556: real time    600.0810
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    597.1904: real time    602.3300

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5235244E-04  (-0.1648163E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013773 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.29427588
  -exchange      EXHF   =        33.17272326
  -V(xc)+E(xc)   XCENC  =       -83.57934544
  PAW double counting   =    100947.09368742  -100846.13021473
  entropy T*S    EENTRO =        -0.00358307
  eigenvalues    EBANDS =       -34.93867735
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90570555 eV

  energy without entropy =      -13.90212248  energy(sigma->0) =      -13.90451120
  exchange ACFDT corr.  =        -0.00364050  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7297
    SETDIJ:  cpu time      1.2352: real time      1.2405
    TRIAL :  cpu time    594.7888: real time    599.9156
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    597.0210: real time    602.1616

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3355424E-05  (-0.2311149E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013748 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.39845946
  -exchange      EXHF   =        33.17293824
  -V(xc)+E(xc)   XCENC  =       -83.57925424
  PAW double counting   =    100949.28257954  -100848.31909894
  entropy T*S    EENTRO =        -0.00358163
  eigenvalues    EBANDS =       -34.83479477
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90570891 eV

  energy without entropy =      -13.90212728  energy(sigma->0) =      -13.90451503
  exchange ACFDT corr.  =        -0.00364665  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7292
    SETDIJ:  cpu time      1.2328: real time      1.2381
    TRIAL :  cpu time    593.4381: real time    598.5301
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    595.6677: real time    600.7738

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9013995E-05  (-0.1372438E-04)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013729 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.36498137
  -exchange      EXHF   =        33.17282030
  -V(xc)+E(xc)   XCENC  =       -83.57929055
  PAW double counting   =    100949.89451449  -100848.93104210
  entropy T*S    EENTRO =        -0.00357509
  eigenvalues    EBANDS =       -34.86812085
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90571792 eV

  energy without entropy =      -13.90214284  energy(sigma->0) =      -13.90452623
  exchange ACFDT corr.  =        -0.00366545  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     82(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2321: real time      1.2374
    TRIAL :  cpu time    594.2941: real time    599.3964
    CORREC:  cpu time      0.0038: real time      0.0039
    EDDIAG:  cpu time    590.5916: real time    595.5713
    CHARGE:  cpu time      0.2688: real time      0.2710
    --------------------------------------------
      LOOP:  cpu time   1187.1139: real time   1197.2095

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6891773E-05  (-0.2721062E-05)
 number of electron      15.0000000 magnetization       0.0000002
 augmentation part       -0.0013714 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       387.19257955
  -Hartree energ DENC   =      -685.29888286
  -exchange      EXHF   =        33.17264538
  -V(xc)+E(xc)   XCENC  =       -83.57935353
  PAW double counting   =    100949.82841659  -100848.86491908
  entropy T*S    EENTRO =        -0.00357627
  eigenvalues    EBANDS =       -34.93401710
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572481 eV

  energy without entropy =      -13.90214854  energy(sigma->0) =      -13.90453272
  exchange ACFDT corr.  =        -0.00365861  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9947


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8919       2 -69.7893       3 -69.7973       4 -69.7909       5 -69.8921
 
 
 
 E-fermi :   3.1664     XC(G=0):  -5.1325     alpha+bet : -8.9779

 Fermi energy:         3.1664429671

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8388      1.00000
      2      -9.9310      1.00000
      3      -8.5901      1.00000
      4      -6.7707      1.00000
      5      -4.3830      1.00000
      6      -1.6088      1.00000
      7       1.5391      1.00000
      8       4.5601     -0.00000
      9       5.3943     -0.00000
     10       7.9163     -0.00000
     11       7.9465     -0.00000
     12      11.8769      0.00000
     13      12.1532      0.00000
     14      16.1110      0.00000
     15      16.1138      0.00000
     16      16.1189      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7552      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7553      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7567      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5595      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5596      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5596      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1971     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7890      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1971     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7890      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1971     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7889      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6133      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6132      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6134      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5418     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0169      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5419     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0301      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5419     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0411      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8128      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8145      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8143      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8175      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8229      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8266      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92447
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92447
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92447
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2034     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8092      1.00000
      2      -0.8080      1.00000
      3      -0.7761      1.00000
      4       0.0370      1.00000
      5       0.1240      1.00000
      6       0.1263      1.00000
      7       1.1318      1.00000
      8       1.1346      1.00000
      9       1.8192      1.00000
     10       2.6833      1.00169
     11       4.0844     -0.00000
     12       4.0850     -0.00000
     13       5.9457     -0.00000
     14       5.9494     -0.00000
     15       6.0117     -0.00000
     16       8.0065     -0.00000
 Fermi energy:         3.1664429671

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8388      1.00000
      2      -9.9310      1.00000
      3      -8.5901      1.00000
      4      -6.7707      1.00000
      5      -4.3830      1.00000
      6      -1.6088      1.00000
      7       1.5391      1.00000
      8       4.5601     -0.00000
      9       5.3943     -0.00000
     10       7.9163     -0.00000
     11       7.9465     -0.00000
     12      11.8769      0.00000
     13      12.1532      0.00000
     14      16.1110      0.00000
     15      16.1130      0.00000
     16      16.1189      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6302      1.00000
      2      -9.7218      1.00000
      3      -8.3798      1.00000
      4      -6.5587      1.00000
      5      -4.1669      1.00000
      6      -1.3986      1.00000
      7       1.7529      1.00000
      8       4.7434     -0.00000
      9       5.5688     -0.00000
     10       8.0845     -0.00000
     11       8.1122     -0.00000
     12      12.0108      0.00000
     13      12.2532      0.00000
     14      13.1654      0.00000
     15      13.9040      0.00000
     16      14.3752      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7556      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7552      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0042      1.00000
      2      -9.0939      1.00000
      3      -7.7486      1.00000
      4      -5.9226      1.00000
      5      -3.5197      1.00000
      6      -0.7687      1.00000
      7       2.3815      1.00000
      8       5.2777     -0.00000
      9       6.0872     -0.00000
     10       8.4694     -0.00000
     11       8.6024     -0.00000
     12       9.7638      0.00000
     13      10.3297      0.00000
     14      11.4050      0.00000
     15      12.4816      0.00000
     16      12.7552      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5595      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5596      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9602      1.00000
      2      -8.0462      1.00000
      3      -6.6954      1.00000
      4      -4.8623      1.00000
      5      -2.4466      1.00000
      6       0.2711      1.00000
      7       3.3506     -0.01520
      8       5.6604     -0.00000
      9       6.5271     -0.00000
     10       6.9097     -0.00000
     11       7.0374     -0.00000
     12       8.0950     -0.00000
     13       9.3888      0.00000
     14       9.5595      0.00000
     15       9.7866      0.00000
     16      11.5596      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1971     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7890      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1970     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7890      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4961      1.00000
      2      -6.5765      1.00000
      3      -5.2187      1.00000
      4      -3.3814      1.00000
      5      -0.9771      1.00000
      6       1.5764      1.00000
      7       2.5962      1.00023
      8       3.5807     -0.00618
      9       4.8254     -0.00000
     10       5.0783     -0.00000
     11       6.5181     -0.00000
     12       7.5911     -0.00000
     13       8.1971     -0.00000
     14       8.6733      0.00000
     15      10.4990      0.00000
     16      10.7888      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6078      1.00000
      2      -4.6821      1.00000
      3      -3.3233      1.00000
      4      -1.5234      1.00000
      5      -0.6095      1.00000
      6       0.1625      1.00000
      7       1.1098      1.00000
      8       2.0330      1.00000
      9       3.6439     -0.00186
     10       3.7289     -0.00025
     11       5.8939     -0.00000
     12       6.6471     -0.00000
     13       8.2175     -0.00000
     14       9.1456      0.00000
     15       9.7383      0.00000
     16      10.4555      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3053      1.00000
      2      -3.2868      1.00000
      3      -2.3793      1.00000
      4      -2.3745      1.00000
      5      -1.2554      1.00000
      6      -0.8700      1.00000
      7       0.6382      1.00000
      8       1.3716      1.00000
      9       3.3486     -0.01366
     10       3.4783     -0.02464
     11       5.6666     -0.00000
     12       6.0007     -0.00000
     13       8.3463     -0.00000
     14       8.8185      0.00000
     15      10.2879      0.00000
     16      10.5243      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6133      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6132      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2129      1.00000
      2      -9.3032      1.00000
      3      -7.9591      1.00000
      4      -6.1347      1.00000
      5      -3.7353      1.00000
      6      -0.9784      1.00000
      7       2.1745      1.00000
      8       5.1038     -0.00000
      9       5.9157     -0.00000
     10       8.4111     -0.00000
     11       8.4233     -0.00000
     12      11.4770      0.00000
     13      11.4936      0.00000
     14      11.9234      0.00000
     15      12.0592      0.00000
     16      12.6140      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3780      1.00000
      2      -8.4655      1.00000
      3      -7.1169      1.00000
      4      -5.2864      1.00000
      5      -2.8746      1.00000
      6      -0.1419      1.00000
      7       2.9856      1.01182
      8       5.7650     -0.00000
      9       6.5862     -0.00000
     10       7.9040     -0.00000
     11       8.6320      0.00000
     12       8.9938      0.00000
     13       9.4104      0.00000
     14       9.8632      0.00000
     15      10.2172      0.00000
     16      10.7729      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1242      1.00000
      2      -7.2070      1.00000
      3      -5.8519      1.00000
      4      -4.0149      1.00000
      5      -1.5977      1.00000
      6       1.0799      1.00000
      7       3.8061     -0.00003
      8       4.6968     -0.00000
      9       5.4452     -0.00000
     10       6.5338     -0.00000
     11       7.0396     -0.00000
     12       7.6813     -0.00000
     13       8.1809     -0.00000
     14       8.9423      0.00000
     15       9.6384      0.00000
     16       9.9946      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4483      1.00000
      2      -5.5249      1.00000
      3      -4.1642      1.00000
      4      -2.3331      1.00000
      5      -0.0160      1.00000
      6       1.0576      1.00000
      7       2.0275      1.00000
      8       2.9894      1.00816
      9       3.5491     -0.01028
     10       5.1907     -0.00000
     11       5.8460     -0.00000
     12       7.3002     -0.00000
     13       7.9939     -0.00000
     14       8.6270      0.00000
     15       9.0883      0.00000
     16       9.1568      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3471      1.00000
      2      -3.4211      1.00000
      3      -2.0788      1.00000
      4      -1.8330      1.00000
      5      -0.9810      1.00000
      6      -0.3491      1.00000
      7       0.6643      1.00000
      8       2.2702      1.00000
      9       2.6381      1.00062
     10       4.7067     -0.00000
     11       4.8819     -0.00000
     12       7.0255     -0.00000
     13       7.4783     -0.00000
     14       8.0228     -0.00000
     15       8.8720      0.00000
     16       9.6758      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5419     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0166      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5419     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0230      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3335      1.00000
      2      -7.4171      1.00000
      3      -6.0630      1.00000
      4      -4.2265      1.00000
      5      -1.8080      1.00000
      6       0.8870      1.00000
      7       3.8991     -0.00000
      8       6.0366     -0.00000
      9       6.5434     -0.00000
     10       7.2613     -0.00000
     11       7.3211     -0.00000
     12       7.5419     -0.00000
     13       7.5891     -0.00000
     14       8.4099     -0.00000
     15       8.7669      0.00000
     16      10.0189      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8685      1.00000
      2      -5.9464      1.00000
      3      -4.5863      1.00000
      4      -2.7489      1.00000
      5      -0.3557      1.00000
      6       2.1630      1.00000
      7       3.1860      0.40547
      8       4.1558     -0.00000
      9       5.1021     -0.00000
     10       5.3910     -0.00000
     11       5.9207     -0.00000
     12       6.5040     -0.00000
     13       7.0201     -0.00000
     14       7.7643     -0.00000
     15       8.3679     -0.00000
     16       8.7414      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8114      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8120      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8146      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8153      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8180      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9794      1.00000
      2      -4.0525      1.00000
      3      -2.6946      1.00000
      4      -0.9045      1.00000
      5       0.0070      1.00000
      6       0.7644      1.00000
      7       1.7021      1.00000
      8       2.6072      1.00029
      9       4.0804     -0.00000
     10       4.2606     -0.00000
     11       4.9109     -0.00000
     12       5.7648     -0.00000
     13       6.6172     -0.00000
     14       7.3995     -0.00000
     15       7.4698     -0.00000
     16       8.8208      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6793      1.00000
      2      -2.6604      1.00000
      3      -1.7618      1.00000
      4      -1.7450      1.00000
      5      -0.6409      1.00000
      6      -0.2568      1.00000
      7       1.2393      1.00000
      8       1.9654      1.00000
      9       3.7547     -0.00013
     10       3.8773     -0.00000
     11       4.7559     -0.00000
     12       5.7887     -0.00000
     13       6.3892     -0.00000
     14       6.7461     -0.00000
     15       7.1485     -0.00000
     16       8.6676      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92447
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92447
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1904      1.00000
      2      -4.2636      1.00000
      3      -2.9029      1.00000
      4      -1.0886      1.00000
      5       1.1252      1.00000
      6       2.1562      1.00000
      7       2.3229      1.00000
      8       3.0429      0.92446
      9       3.4968     -0.02054
     10       4.2518     -0.00000
     11       4.4952     -0.00000
     12       4.8783     -0.00000
     13       6.2079     -0.00000
     14       6.8400     -0.00000
     15       7.1856     -0.00000
     16       8.6431      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40269
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40269
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2036     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0902      1.00000
      2      -2.1675      1.00000
      3      -0.8407      1.00000
      4      -0.5875      1.00000
      5       0.2427      1.00000
      6       0.8353      1.00000
      7       1.8042      1.00000
      8       1.8641      1.00000
      9       2.6056      1.00028
     10       3.1888      0.40270
     11       4.1123     -0.00000
     12       4.6674     -0.00000
     13       6.0341     -0.00000
     14       6.1371     -0.00000
     15       6.3344     -0.00000
     16       8.2035     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8092      1.00000
      2      -0.8080      1.00000
      3      -0.7761      1.00000
      4       0.0370      1.00000
      5       0.1240      1.00000
      6       0.1263      1.00000
      7       1.1318      1.00000
      8       1.1346      1.00000
      9       1.8192      1.00000
     10       2.6833      1.00169
     11       4.0844     -0.00000
     12       4.0850     -0.00000
     13       5.9457     -0.00000
     14       5.9494     -0.00000
     15       6.0117     -0.00000
     16       8.0067     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.945 -61.925   0.000  -0.152   0.000  -0.000  -0.010  -0.000
-61.925  33.074  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.152   0.073   0.000   1.696   0.000  -0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    426.0086: real time    429.0625
    FORNL :  cpu time      0.4987: real time      0.5047
    FORCOR:  cpu time      1.9523: real time      1.9637
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.197E-05 0.189E-05 0.180E+03   0.395E-13 0.268E-13 -.179E+03   -.236E-05 -.211E-05 -.104E+01
   0.915E-06 0.271E-06 0.911E+02   -.168E-17 -.146E-14 -.910E+02   -.726E-06 0.257E-06 -.732E-01
   -.253E-06 -.128E-05 -.110E+00   -.135E-12 -.778E-13 0.109E+00   0.140E-06 0.520E-06 0.134E-01
   0.115E-05 0.251E-05 -.912E+02   0.127E-12 0.822E-13 0.911E+02   -.126E-05 -.317E-05 0.910E-01
   -.925E-06 -.208E-05 -.180E+03   -.409E-13 -.266E-13 0.179E+03   0.627E-06 0.247E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.410E-05 0.200E-05 0.860E-02   -.971E-14 0.313E-14 0.284E-13   -.357E-05 -.203E-05 0.117E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.023172
      0.00000      0.00000      2.37939         0.000000      0.000001     -0.007112
      1.42873      0.82488      4.71471        -0.000000     -0.000001      0.008456
      2.85746      1.64976      7.05218        -0.000000     -0.000001      0.013755
      0.00000      0.00000      9.43685        -0.000000      0.000000      0.008073
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000      0.021446


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90572481 eV

  energy  without entropy=      -13.90214854  energy(sigma->0) =      -13.90453272
 
 d Force =-0.2670897E-04[-0.811E-04, 0.276E-04]  d Energy =-0.2723432E-04 0.525E-06
 d Force =-0.9112468E+00[-0.912E+00,-0.911E+00]  d Ewald  =-0.9112468E+00 0.642E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9534: real time      1.9649


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.182E-04   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   2.5840
 eigenvalue spectrum of G is  2.5840


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0815
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0842: real time      0.0846
    POTLOK:  cpu time      1.9528: real time      1.9652
    EDDIAG:  cpu time    592.5666: real time    597.5048
    CHARGE:  cpu time      0.2687: real time      0.2709
 writing wavefunctions
     LOOP+:  cpu time   6986.0735: real time   7045.5188


--------------------------------------- Iteration     83(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7286
    SETDIJ:  cpu time      1.2292: real time      1.2345
    TRIAL :  cpu time    594.6120: real time    599.7375
    CORREC:  cpu time      0.0037: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    596.8473: real time    601.9871

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6730657E-03  (-0.2404706E-02)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0013839 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -685.23589445
  -exchange      EXHF   =        33.17227235
  -V(xc)+E(xc)   XCENC  =       -83.57939253
  PAW double counting   =    100942.64811353  -100841.68447977
  entropy T*S    EENTRO =        -0.00348669
  eigenvalues    EBANDS =       -34.43808222
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90504486 eV

  energy without entropy =      -13.90155816  energy(sigma->0) =      -13.90388263
  exchange ACFDT corr.  =        -0.00362521  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7286
    SETDIJ:  cpu time      1.2310: real time      1.2364
    TRIAL :  cpu time    596.5560: real time    601.6923
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    598.7840: real time    603.9339

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2726483E-04  (-0.1642061E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013855 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.69827946
  -exchange      EXHF   =        33.17062779
  -V(xc)+E(xc)   XCENC  =       -83.58000952
  PAW double counting   =    100934.19091464  -100833.22725169
  entropy T*S    EENTRO =        -0.00347258
  eigenvalues    EBANDS =       -34.97350321
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90501759 eV

  energy without entropy =      -13.90154501  energy(sigma->0) =      -13.90386007
  exchange ACFDT corr.  =        -0.00357216  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2303: real time      1.2357
    TRIAL :  cpu time    592.3924: real time    597.4648
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2701: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    594.6201: real time    599.7063

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6192880E-03  (-0.7592918E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013870 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.54844012
  -exchange      EXHF   =        33.16987238
  -V(xc)+E(xc)   XCENC  =       -83.58028761
  PAW double counting   =    100930.35368200  -100829.39002617
  entropy T*S    EENTRO =        -0.00350095
  eigenvalues    EBANDS =       -35.12293534
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90563688 eV

  energy without entropy =      -13.90213593  energy(sigma->0) =      -13.90446990
  exchange ACFDT corr.  =        -0.00360012  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2290: real time      1.2342
    TRIAL :  cpu time    592.0877: real time    597.1298
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    594.3127: real time    599.3683

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1453649E-04  (-0.3524316E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013887 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.76646718
  -exchange      EXHF   =        33.17011263
  -V(xc)+E(xc)   XCENC  =       -83.58019201
  PAW double counting   =    100931.25207240  -100830.28844019
  entropy T*S    EENTRO =        -0.00351353
  eigenvalues    EBANDS =       -34.90520667
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90565142 eV

  energy without entropy =      -13.90213789  energy(sigma->0) =      -13.90448024
  exchange ACFDT corr.  =        -0.00360583  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7286
    SETDIJ:  cpu time      1.2319: real time      1.2372
    TRIAL :  cpu time    590.7752: real time    595.7994
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    593.0029: real time    598.0408

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6391492E-05  (-0.2234570E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013897 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.88459398
  -exchange      EXHF   =        33.17031278
  -V(xc)+E(xc)   XCENC  =       -83.58011409
  PAW double counting   =    100931.84782525  -100830.88420658
  entropy T*S    EENTRO =        -0.00350119
  eigenvalues    EBANDS =       -34.78732542
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90564503 eV

  energy without entropy =      -13.90214383  energy(sigma->0) =      -13.90447796
  exchange ACFDT corr.  =        -0.00359684  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2310: real time      1.2363
    TRIAL :  cpu time    591.9142: real time    596.9991
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    594.1423: real time    599.2409

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9920672E-04  ( 0.7093607E-06)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013899 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.80093324
  -exchange      EXHF   =        33.17014696
  -V(xc)+E(xc)   XCENC  =       -83.58017662
  PAW double counting   =    100931.39927114  -100830.43566032
  entropy T*S    EENTRO =        -0.00348908
  eigenvalues    EBANDS =       -34.87086150
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574423 eV

  energy without entropy =      -13.90225516  energy(sigma->0) =      -13.90458121
  exchange ACFDT corr.  =        -0.00358504  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7290
    SETDIJ:  cpu time      1.2312: real time      1.2365
    TRIAL :  cpu time    592.1696: real time    597.2699
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2689: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    594.3964: real time    599.5110

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1325335E-04  (-0.5941734E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013894 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.72074138
  -exchange      EXHF   =        33.17001862
  -V(xc)+E(xc)   XCENC  =       -83.58022357
  PAW double counting   =    100931.73314125  -100830.76952279
  entropy T*S    EENTRO =        -0.00349079
  eigenvalues    EBANDS =       -34.95088458
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573098 eV

  energy without entropy =      -13.90224019  energy(sigma->0) =      -13.90456738
  exchange ACFDT corr.  =        -0.00357386  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7229: real time      0.7290
    SETDIJ:  cpu time      1.2301: real time      1.2360
    TRIAL :  cpu time    592.5811: real time    597.6201
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    594.8085: real time    599.8617

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.6467628E-05  (-0.2705943E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013885 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.74791625
  -exchange      EXHF   =        33.17013696
  -V(xc)+E(xc)   XCENC  =       -83.58017621
  PAW double counting   =    100933.65065005  -100832.68702787
  entropy T*S    EENTRO =        -0.00349671
  eigenvalues    EBANDS =       -34.92388389
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573745 eV

  energy without entropy =      -13.90224073  energy(sigma->0) =      -13.90457188
  exchange ACFDT corr.  =        -0.00359894  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7236: real time      0.7296
    SETDIJ:  cpu time      1.2301: real time      1.2355
    TRIAL :  cpu time    593.9622: real time    599.0319
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2683: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    596.1889: real time    601.2723

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1219496E-04  ( 0.3078506E-07)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013875 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.80070948
  -exchange      EXHF   =        33.17028613
  -V(xc)+E(xc)   XCENC  =       -83.58011700
  PAW double counting   =    100935.84475487  -100834.88113366
  entropy T*S    EENTRO =        -0.00349634
  eigenvalues    EBANDS =       -34.87130433
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574964 eV

  energy without entropy =      -13.90225330  energy(sigma->0) =      -13.90458419
  exchange ACFDT corr.  =        -0.00359991  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2337: real time      1.2391
    TRIAL :  cpu time    594.4450: real time    599.4373
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    596.6750: real time    601.6811

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2061657E-05  (-0.1005134E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013867 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.80095638
  -exchange      EXHF   =        33.17028380
  -V(xc)+E(xc)   XCENC  =       -83.58011547
  PAW double counting   =    100937.17396669  -100836.21033847
  entropy T*S    EENTRO =        -0.00349240
  eigenvalues    EBANDS =       -34.87106196
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574758 eV

  energy without entropy =      -13.90225518  energy(sigma->0) =      -13.90458345
  exchange ACFDT corr.  =        -0.00358129  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     83(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7287
    SETDIJ:  cpu time      1.2328: real time      1.2381
    TRIAL :  cpu time    593.6679: real time    598.7048
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    592.8724: real time    597.8222
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time   1188.7686: real time   1198.7688

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1794615E-05  (-0.2729053E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013860 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.63458630
  -Hartree energ DENC   =      -684.77298103
  -exchange      EXHF   =        33.17017033
  -V(xc)+E(xc)   XCENC  =       -83.58014484
  PAW double counting   =    100937.91372896  -100836.95009062
  entropy T*S    EENTRO =        -0.00349099
  eigenvalues    EBANDS =       -34.89894176
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574937 eV

  energy without entropy =      -13.90225838  energy(sigma->0) =      -13.90458571
  exchange ACFDT corr.  =        -0.00357730  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9885


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8997       2 -69.7926       3 -69.7936       4 -69.7825       5 -69.8852
 
 
 
 E-fermi :   3.1677     XC(G=0):  -5.1329     alpha+bet : -8.9779

 Fermi energy:         3.1677096554

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8333      1.00000
      2      -9.9291      1.00000
      3      -8.5885      1.00000
      4      -6.7685      1.00000
      5      -4.3834      1.00000
      6      -1.6081      1.00000
      7       1.5372      1.00000
      8       4.5587     -0.00000
      9       5.3915     -0.00000
     10       7.9148     -0.00000
     11       7.9447     -0.00000
     12      11.8762      0.00000
     13      12.1517      0.00000
     14      16.1168      0.00000
     15      16.1193      0.00000
     16      16.1240      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4808      0.00000
     16      12.7559      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4808      0.00000
     16      12.7560      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4809      0.00000
     16      12.7572      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5598      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5598      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7878      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7877      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7876      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6136      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6137      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6402      0.00000
     16       9.9938      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6402      0.00000
     16       9.9938      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6402      0.00000
     16       9.9938      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0163      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0290      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0402      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8141      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8159      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8157      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8179      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8237      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8267      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6427      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6428      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6428      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6071      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6071      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8042      1.00000
      2      -0.8014      1.00000
      3      -0.7702      1.00000
      4       0.0402      1.00000
      5       0.1244      1.00000
      6       0.1288      1.00000
      7       1.1324      1.00000
      8       1.1381      1.00000
      9       1.8202      1.00000
     10       2.6851      1.00170
     11       4.0844     -0.00000
     12       4.0889     -0.00000
     13       5.9458     -0.00000
     14       5.9484     -0.00000
     15       6.0114     -0.00000
     16       8.0074     -0.00000
 Fermi energy:         3.1677096554

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8333      1.00000
      2      -9.9291      1.00000
      3      -8.5885      1.00000
      4      -6.7685      1.00000
      5      -4.3834      1.00000
      6      -1.6081      1.00000
      7       1.5372      1.00000
      8       4.5587     -0.00000
      9       5.3915     -0.00000
     10       7.9148     -0.00000
     11       7.9447     -0.00000
     12      11.8762      0.00000
     13      12.1517      0.00000
     14      16.1168      0.00000
     15      16.1188      0.00000
     16      16.1240      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6247      1.00000
      2      -9.7199      1.00000
      3      -8.3782      1.00000
      4      -6.5565      1.00000
      5      -4.1674      1.00000
      6      -1.3979      1.00000
      7       1.7510      1.00000
      8       4.7420     -0.00000
      9       5.5660     -0.00000
     10       8.0831     -0.00000
     11       8.1104     -0.00000
     12      12.0102      0.00000
     13      12.2520      0.00000
     14      13.1704      0.00000
     15      13.9060      0.00000
     16      14.3807      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4809      0.00000
     16      12.7562      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4808      0.00000
     16      12.7559      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9987      1.00000
      2      -9.0919      1.00000
      3      -7.7470      1.00000
      4      -5.9204      1.00000
      5      -3.5201      1.00000
      6      -0.7679      1.00000
      7       2.3797      1.00000
      8       5.2764     -0.00000
      9       6.0844     -0.00000
     10       8.4687     -0.00000
     11       8.6009     -0.00000
     12       9.7683      0.00000
     13      10.3316      0.00000
     14      11.4063      0.00000
     15      12.4808      0.00000
     16      12.7558      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5598      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9547      1.00000
      2      -8.0443      1.00000
      3      -6.6938      1.00000
      4      -4.8601      1.00000
      5      -2.4470      1.00000
      6       0.2720      1.00000
      7       3.3492     -0.01298
      8       5.6628     -0.00000
      9       6.5278     -0.00000
     10       6.9116     -0.00000
     11       7.0355     -0.00000
     12       8.0965     -0.00000
     13       9.3881      0.00000
     14       9.5593      0.00000
     15       9.7867      0.00000
     16      11.5598      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7877      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7877      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4905      1.00000
      2      -6.5745      1.00000
      3      -5.2171      1.00000
      4      -3.3791      1.00000
      5      -0.9773      1.00000
      6       1.5780      1.00000
      7       2.6012      1.00024
      8       3.5824     -0.00622
      9       4.8261     -0.00000
     10       5.0778     -0.00000
     11       6.5203     -0.00000
     12       7.5899     -0.00000
     13       8.1943     -0.00000
     14       8.6730      0.00000
     15      10.4979      0.00000
     16      10.7875      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6022      1.00000
      2      -4.6801      1.00000
      3      -3.3217      1.00000
      4      -1.5210      1.00000
      5      -0.6036      1.00000
      6       0.1640      1.00000
      7       1.1102      1.00000
      8       2.0341      1.00000
      9       3.6456     -0.00186
     10       3.7304     -0.00025
     11       5.8937     -0.00000
     12       6.6455     -0.00000
     13       8.2181     -0.00000
     14       9.1447      0.00000
     15       9.7357      0.00000
     16      10.4612      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2996      1.00000
      2      -3.2810      1.00000
      3      -2.3777      1.00000
      4      -2.3719      1.00000
      5      -1.2534      1.00000
      6      -0.8686      1.00000
      7       0.6403      1.00000
      8       1.3736      1.00000
      9       3.3481     -0.01198
     10       3.4782     -0.02514
     11       5.6676     -0.00000
     12       6.0014     -0.00000
     13       8.3446     -0.00000
     14       8.8178      0.00000
     15      10.2935      0.00000
     16      10.5250      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6136      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2074      1.00000
      2      -9.3013      1.00000
      3      -7.9575      1.00000
      4      -6.1325      1.00000
      5      -3.7357      1.00000
      6      -0.9777      1.00000
      7       2.1726      1.00000
      8       5.1024     -0.00000
      9       5.9130     -0.00000
     10       8.4097     -0.00000
     11       8.4217     -0.00000
     12      11.4826      0.00000
     13      11.4986      0.00000
     14      11.9248      0.00000
     15      12.0598      0.00000
     16      12.6141      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3725      1.00000
      2      -8.4635      1.00000
      3      -7.1153      1.00000
      4      -5.2842      1.00000
      5      -2.8751      1.00000
      6      -0.1411      1.00000
      7       2.9839      1.01426
      8       5.7638     -0.00000
      9       6.5837     -0.00000
     10       7.9083     -0.00000
     11       8.6337      0.00000
     12       8.9931      0.00000
     13       9.4102      0.00000
     14       9.8645      0.00000
     15      10.2216      0.00000
     16      10.7750      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6402      0.00000
     16       9.9938      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6402      0.00000
     16       9.9938      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1186      1.00000
      2      -7.2050      1.00000
      3      -5.8503      1.00000
      4      -4.0127      1.00000
      5      -1.5981      1.00000
      6       1.0808      1.00000
      7       3.8079     -0.00003
      8       4.6990     -0.00000
      9       5.4467     -0.00000
     10       6.5355     -0.00000
     11       7.0389     -0.00000
     12       7.6787     -0.00000
     13       8.1830     -0.00000
     14       8.9468      0.00000
     15       9.6401      0.00000
     16       9.9938      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4427      1.00000
      2      -5.5229      1.00000
      3      -4.1626      1.00000
      4      -2.3309      1.00000
      5      -0.0158      1.00000
      6       1.0630      1.00000
      7       2.0293      1.00000
      8       2.9901      1.00904
      9       3.5509     -0.01034
     10       5.1929     -0.00000
     11       5.8447     -0.00000
     12       7.3007     -0.00000
     13       7.9959     -0.00000
     14       8.6279      0.00000
     15       9.0860      0.00000
     16       9.1584      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3413      1.00000
      2      -3.4191      1.00000
      3      -2.0771      1.00000
      4      -1.8272      1.00000
      5      -0.9786      1.00000
      6      -0.3471      1.00000
      7       0.6658      1.00000
      8       2.2708      1.00000
      9       2.6395      1.00061
     10       4.7066     -0.00000
     11       4.8828     -0.00000
     12       7.0271     -0.00000
     13       7.4791     -0.00000
     14       8.0247     -0.00000
     15       8.8732      0.00000
     16       9.6754      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0160      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0222      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3279      1.00000
      2      -7.4151      1.00000
      3      -6.0614      1.00000
      4      -4.2243      1.00000
      5      -1.8083      1.00000
      6       0.8878      1.00000
      7       3.8980     -0.00000
      8       6.0393     -0.00000
      9       6.5475     -0.00000
     10       7.2634     -0.00000
     11       7.3235     -0.00000
     12       7.5429     -0.00000
     13       7.5871     -0.00000
     14       8.4114     -0.00000
     15       8.7687      0.00000
     16      10.0182      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8628      1.00000
      2      -5.9444      1.00000
      3      -4.5846      1.00000
      4      -2.7467      1.00000
      5      -0.3559      1.00000
      6       2.1647      1.00000
      7       3.1909      0.39934
      8       4.1575     -0.00000
      9       5.1047     -0.00000
     10       5.3928     -0.00000
     11       5.9224     -0.00000
     12       6.5054     -0.00000
     13       7.0220     -0.00000
     14       7.7655     -0.00000
     15       8.3673     -0.00000
     16       8.7389      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8125      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8134      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8160      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8165      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8193      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9737      1.00000
      2      -4.0505      1.00000
      3      -2.6929      1.00000
      4      -0.9022      1.00000
      5       0.0129      1.00000
      6       0.7660      1.00000
      7       1.7026      1.00000
      8       2.6084      1.00028
      9       4.0819     -0.00000
     10       4.2631     -0.00000
     11       4.9156     -0.00000
     12       5.7662     -0.00000
     13       6.6171     -0.00000
     14       7.3996     -0.00000
     15       7.4695     -0.00000
     16       8.8210      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6736      1.00000
      2      -2.6546      1.00000
      3      -1.7592      1.00000
      4      -1.7434      1.00000
      5      -0.6390      1.00000
      6      -0.2553      1.00000
      7       1.2415      1.00000
      8       1.9674      1.00000
      9       3.7545     -0.00013
     10       3.8790     -0.00000
     11       4.7597     -0.00000
     12       5.7900     -0.00000
     13       6.3899     -0.00000
     14       6.7468     -0.00000
     15       7.1502     -0.00000
     16       8.6695      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6427      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6427      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1847      1.00000
      2      -4.2616      1.00000
      3      -2.9013      1.00000
      4      -1.0863      1.00000
      5       1.1257      1.00000
      6       2.1617      1.00000
      7       2.3281      1.00000
      8       3.0454      0.92428
      9       3.4978     -0.02071
     10       4.2529     -0.00000
     11       4.4969     -0.00000
     12       4.8798     -0.00000
     13       6.2099     -0.00000
     14       6.8418     -0.00000
     15       7.1843     -0.00000
     16       8.6427      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6071      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2034     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6072      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0845      1.00000
      2      -2.1655      1.00000
      3      -0.8389      1.00000
      4      -0.5818      1.00000
      5       0.2451      1.00000
      6       0.8374      1.00000
      7       1.8081      1.00000
      8       1.8677      1.00000
      9       2.6071      1.00027
     10       3.1903      0.40438
     11       4.1132     -0.00000
     12       4.6684     -0.00000
     13       6.0342     -0.00000
     14       6.1387     -0.00000
     15       6.3354     -0.00000
     16       8.2035     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8042      1.00000
      2      -0.8014      1.00000
      3      -0.7702      1.00000
      4       0.0402      1.00000
      5       0.1244      1.00000
      6       0.1288      1.00000
      7       1.1324      1.00000
      8       1.1381      1.00000
      9       1.8202      1.00000
     10       2.6851      1.00170
     11       4.0844     -0.00000
     12       4.0889     -0.00000
     13       5.9458     -0.00000
     14       5.9484     -0.00000
     15       6.0114     -0.00000
     16       8.0076     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.951 -61.929  -0.000  -0.151  -0.000   0.000  -0.011   0.000
-61.929  33.076   0.000   0.072   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.151   0.072  -0.000   1.696   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.5186: real time    427.5866
    FORNL :  cpu time      0.4975: real time      0.5034
    FORCOR:  cpu time      1.9553: real time      1.9669
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.656E-06 -.469E-06 0.180E+03   0.403E-13 0.231E-13 -.179E+03   -.881E-06 0.266E-06 -.104E+01
   0.195E-06 0.227E-06 0.910E+02   -.193E-15 0.550E-14 -.909E+02   -.390E-06 -.145E-06 -.653E-01
   0.348E-06 -.167E-06 -.114E+00   -.133E-12 -.762E-13 0.109E+00   -.522E-06 0.991E-07 0.915E-02
   -.119E-05 -.467E-06 -.911E+02   0.127E-12 0.751E-13 0.910E+02   0.128E-05 0.854E-06 0.828E-01
   0.685E-06 0.161E-05 -.180E+03   -.436E-13 -.243E-13 0.179E+03   -.524E-06 -.195E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.346E-06 0.561E-06 -.103E-03   -.971E-14 0.313E-14 0.000E+00   -.104E-05 -.873E-06 0.640E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.017071
      0.00000      0.00000      2.37904        -0.000000     -0.000000      0.001513
      1.42873      0.82488      4.71560        -0.000000     -0.000000      0.003953
      2.85746      1.64976      7.05403         0.000000      0.000000      0.006521
      0.00000      0.00000      9.43886         0.000000     -0.000000      0.005084
 -----------------------------------------------------------------------------------
    total drift:                               -0.000001     -0.000000     -0.000070


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90574937 eV

  energy  without entropy=      -13.90225838  energy(sigma->0) =      -13.90458571
 
 d Force = 0.3843325E-04[ 0.252E-04, 0.516E-04]  d Energy = 0.2455956E-04 0.139E-04
 d Force = 0.5579932E+00[ 0.558E+00, 0.558E+00]  d Ewald  = 0.5579932E+00-0.128E-08


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9527: real time      1.9644


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.416E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.5068
 eigenvalue spectrum of G is  3.5068


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0780
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0845
    POTLOK:  cpu time      1.9523: real time      1.9650
    EDDIAG:  cpu time    591.7504: real time    596.6916
    CHARGE:  cpu time      0.2690: real time      0.2712
 writing wavefunctions
     LOOP+:  cpu time   8166.4749: real time   8235.5662


--------------------------------------- Iteration     84(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7244: real time      0.7305
    SETDIJ:  cpu time      1.2294: real time      1.2346
    TRIAL :  cpu time    593.9531: real time    598.9936
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    596.1905: real time    601.2455

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5252671E-04  (-0.1011123E-03)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013927 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36973750
  -Hartree energ DENC   =      -684.73718313
  -exchange      EXHF   =        33.16988659
  -V(xc)+E(xc)   XCENC  =       -83.58020914
  PAW double counting   =    100935.50090186  -100834.53722083
  entropy T*S    EENTRO =        -0.00345644
  eigenvalues    EBANDS =       -34.66950680
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569505 eV

  energy without entropy =      -13.90223861  energy(sigma->0) =      -13.90454291
  exchange ACFDT corr.  =        -0.00356721  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     84(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    591.5101: real time    596.5523
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2699: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    593.7377: real time    598.7937

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3604963E-04  (-0.2046161E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013936 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36973750
  -Hartree energ DENC   =      -684.48313091
  -exchange      EXHF   =        33.16908976
  -V(xc)+E(xc)   XCENC  =       -83.58050781
  PAW double counting   =    100931.60989358  -100830.64618601
  entropy T*S    EENTRO =        -0.00344978
  eigenvalues    EBANDS =       -34.92255502
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573110 eV

  energy without entropy =      -13.90228133  energy(sigma->0) =      -13.90458118
  exchange ACFDT corr.  =        -0.00353724  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     84(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7235: real time      0.7295
    SETDIJ:  cpu time      1.2307: real time      1.2358
    TRIAL :  cpu time    590.1904: real time    595.2040
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2694: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.4183: real time    597.4453

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7153081E-05  (-0.2672555E-04)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013946 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36973750
  -Hartree energ DENC   =      -684.40860634
  -exchange      EXHF   =        33.16869655
  -V(xc)+E(xc)   XCENC  =       -83.58065219
  PAW double counting   =    100929.84121906  -100828.87752604
  entropy T*S    EENTRO =        -0.00346304
  eigenvalues    EBANDS =       -34.99654127
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573826 eV

  energy without entropy =      -13.90227522  energy(sigma->0) =      -13.90458391
  exchange ACFDT corr.  =        -0.00357512  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     84(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2314: real time      1.2367
    TRIAL :  cpu time    593.9330: real time    598.9866
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2702: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    596.1620: real time    601.2294

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1507507E-04  (-0.6431257E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013956 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36973750
  -Hartree energ DENC   =      -684.50917001
  -exchange      EXHF   =        33.16879182
  -V(xc)+E(xc)   XCENC  =       -83.58061428
  PAW double counting   =    100930.22656119  -100829.26286419
  entropy T*S    EENTRO =        -0.00346907
  eigenvalues    EBANDS =       -34.89611657
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575333 eV

  energy without entropy =      -13.90228426  energy(sigma->0) =      -13.90459697
  exchange ACFDT corr.  =        -0.00357772  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     84(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2312: real time      1.2366
    TRIAL :  cpu time    596.1072: real time    601.2060
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.6664: real time    596.6731
    CHARGE:  cpu time      0.2682: real time      0.2704
    --------------------------------------------
      LOOP:  cpu time   1190.0000: real time   1200.1193

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2435409E-06  (-0.7406454E-05)
 number of electron      15.0000000 magnetization      -0.0000002
 augmentation part       -0.0013963 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.36973750
  -Hartree energ DENC   =      -684.56552835
  -exchange      EXHF   =        33.16883756
  -V(xc)+E(xc)   XCENC  =       -83.58057516
  PAW double counting   =    100930.74840878  -100829.78472708
  entropy T*S    EENTRO =        -0.00346280
  eigenvalues    EBANDS =       -34.83988108
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575357 eV

  energy without entropy =      -13.90229077  energy(sigma->0) =      -13.90459931
  exchange ACFDT corr.  =        -0.00354855  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0110


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9016       2 -69.7841       3 -69.7808       4 -69.7782       5 -69.8915
 
 
 
 E-fermi :   3.1682     XC(G=0):  -5.1331     alpha+bet : -8.9779

 Fermi energy:         3.1682223392

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8243      1.00000
      2      -9.9262      1.00000
      3      -8.5861      1.00000
      4      -6.7660      1.00000
      5      -4.3818      1.00000
      6      -1.6061      1.00000
      7       1.5375      1.00000
      8       4.5577     -0.00000
      9       5.3866     -0.00000
     10       7.9124     -0.00000
     11       7.9425     -0.00000
     12      11.8745      0.00000
     13      12.1505      0.00000
     14      16.1267      0.00000
     15      16.1287      0.00000
     16      16.1324      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7570      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7571      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7583      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5620      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5620      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5621      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7863      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7862      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7860      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6136      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6137      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9945      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9945      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0153      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0276      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0386      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8174      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8191      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8190      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8207      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8268      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8294      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6432      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6432      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6433      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2049     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2049     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7946      1.00000
      2      -0.7922      1.00000
      3      -0.7611      1.00000
      4       0.0450      1.00000
      5       0.1270      1.00000
      6       0.1309      1.00000
      7       1.1365      1.00000
      8       1.1413      1.00000
      9       1.8208      1.00000
     10       2.6864      1.00170
     11       4.0876     -0.00000
     12       4.0907     -0.00000
     13       5.9463     -0.00000
     14       5.9495     -0.00000
     15       6.0150     -0.00000
     16       8.0086     -0.00000
 Fermi energy:         3.1682223392

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8243      1.00000
      2      -9.9262      1.00000
      3      -8.5861      1.00000
      4      -6.7660      1.00000
      5      -4.3818      1.00000
      6      -1.6061      1.00000
      7       1.5375      1.00000
      8       4.5577     -0.00000
      9       5.3866     -0.00000
     10       7.9124     -0.00000
     11       7.9425     -0.00000
     12      11.8745      0.00000
     13      12.1505      0.00000
     14      16.1267      0.00000
     15      16.1283      0.00000
     16      16.1324      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6157      1.00000
      2      -9.7169      1.00000
      3      -8.3758      1.00000
      4      -6.5540      1.00000
      5      -4.1658      1.00000
      6      -1.3959      1.00000
      7       1.7513      1.00000
      8       4.7410     -0.00000
      9       5.5611     -0.00000
     10       8.0806     -0.00000
     11       8.1083     -0.00000
     12      12.0088      0.00000
     13      12.2509      0.00000
     14      13.1792      0.00000
     15      13.9090      0.00000
     16      14.3899      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7574      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7571      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9896      1.00000
      2      -9.0890      1.00000
      3      -7.7446      1.00000
      4      -5.9178      1.00000
      5      -3.5186      1.00000
      6      -0.7659      1.00000
      7       2.3801      1.00000
      8       5.2754     -0.00000
      9       6.0796     -0.00000
     10       8.4676     -0.00000
     11       8.5986     -0.00000
     12       9.7764      0.00000
     13      10.3343      0.00000
     14      11.4084      0.00000
     15      12.4799      0.00000
     16      12.7570      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5620      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5621      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9456      1.00000
      2      -8.0413      1.00000
      3      -6.6914      1.00000
      4      -4.8574      1.00000
      5      -2.4454      1.00000
      6       0.2741      1.00000
      7       3.3499     -0.01177
      8       5.6671     -0.00000
      9       6.5294     -0.00000
     10       6.9151     -0.00000
     11       7.0320     -0.00000
     12       8.0987     -0.00000
     13       9.3866      0.00000
     14       9.5592      0.00000
     15       9.7871      0.00000
     16      11.5620      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7861      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7861      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4814      1.00000
      2      -6.5715      1.00000
      3      -5.2146      1.00000
      4      -3.3764      1.00000
      5      -0.9756      1.00000
      6       1.5811      1.00000
      7       2.6086      1.00024
      8       3.5850     -0.00621
      9       4.8271     -0.00000
     10       5.0802     -0.00000
     11       6.5229     -0.00000
     12       7.5891     -0.00000
     13       8.1896     -0.00000
     14       8.6747      0.00000
     15      10.4965      0.00000
     16      10.7860      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5930      1.00000
      2      -4.6771      1.00000
      3      -3.3192      1.00000
      4      -1.5182      1.00000
      5      -0.5941      1.00000
      6       0.1668      1.00000
      7       1.1115      1.00000
      8       2.0362      1.00000
      9       3.6474     -0.00187
     10       3.7336     -0.00025
     11       5.8953     -0.00000
     12       6.6461     -0.00000
     13       8.2200     -0.00000
     14       9.1440      0.00000
     15       9.7310      0.00000
     16      10.4704      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2903      1.00000
      2      -3.2718      1.00000
      3      -2.3753      1.00000
      4      -2.3681      1.00000
      5      -1.2502      1.00000
      6      -0.8667      1.00000
      7       0.6425      1.00000
      8       1.3763      1.00000
      9       3.3488     -0.01116
     10       3.4810     -0.02541
     11       5.6693     -0.00000
     12       6.0036     -0.00000
     13       8.3450     -0.00000
     14       8.8188      0.00000
     15      10.3028      0.00000
     16      10.5267      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6136      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1983      1.00000
      2      -9.2984      1.00000
      3      -7.9551      1.00000
      4      -6.1299      1.00000
      5      -3.7341      1.00000
      6      -0.9757      1.00000
      7       2.1730      1.00000
      8       5.1014     -0.00000
      9       5.9081     -0.00000
     10       8.4074     -0.00000
     11       8.4197     -0.00000
     12      11.4919      0.00000
     13      11.5067      0.00000
     14      11.9269      0.00000
     15      12.0611      0.00000
     16      12.6141      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3634      1.00000
      2      -8.4606      1.00000
      3      -7.1129      1.00000
      4      -5.2816      1.00000
      5      -2.8735      1.00000
      6      -0.1390      1.00000
      7       2.9843      1.01547
      8       5.7632     -0.00000
      9       6.5791     -0.00000
     10       7.9148     -0.00000
     11       8.6370      0.00000
     12       8.9920      0.00000
     13       9.4100      0.00000
     14       9.8666      0.00000
     15      10.2290      0.00000
     16      10.7780      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1095      1.00000
      2      -7.2021      1.00000
      3      -5.8479      1.00000
      4      -4.0100      1.00000
      5      -1.5965      1.00000
      6       1.0830      1.00000
      7       3.8120     -0.00003
      8       4.7035     -0.00000
      9       5.4496     -0.00000
     10       6.5386     -0.00000
     11       7.0383     -0.00000
     12       7.6741     -0.00000
     13       8.1856     -0.00000
     14       8.9539      0.00000
     15       9.6433      0.00000
     16       9.9946      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00939
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00938
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4335      1.00000
      2      -5.5199      1.00000
      3      -4.1601      1.00000
      4      -2.3281      1.00000
      5      -0.0134      1.00000
      6       1.0714      1.00000
      7       2.0320      1.00000
      8       2.9916      1.00939
      9       3.5538     -0.01035
     10       5.1959     -0.00000
     11       5.8456     -0.00000
     12       7.3033     -0.00000
     13       7.9996     -0.00000
     14       8.6299      0.00000
     15       9.0822      0.00000
     16       9.1613      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3321      1.00000
      2      -3.4160      1.00000
      3      -2.0745      1.00000
      4      -1.8181      1.00000
      5      -0.9751      1.00000
      6      -0.3446      1.00000
      7       0.6677      1.00000
      8       2.2719      1.00000
      9       2.6427      1.00060
     10       4.7087     -0.00000
     11       4.8847     -0.00000
     12       7.0303     -0.00000
     13       7.4819     -0.00000
     14       8.0286     -0.00000
     15       8.8760      0.00000
     16       9.6760      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0150      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0211      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3188      1.00000
      2      -7.4121      1.00000
      3      -6.0590      1.00000
      4      -4.2216      1.00000
      5      -1.8067      1.00000
      6       0.8899      1.00000
      7       3.8989     -0.00000
      8       6.0440     -0.00000
      9       6.5537     -0.00000
     10       7.2668     -0.00000
     11       7.3282     -0.00000
     12       7.5446     -0.00000
     13       7.5837     -0.00000
     14       8.4133     -0.00000
     15       8.7715      0.00000
     16      10.0172      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8537      1.00000
      2      -5.9414      1.00000
      3      -4.5822      1.00000
      4      -2.7439      1.00000
      5      -0.3542      1.00000
      6       2.1679      1.00000
      7       3.1985      0.39689
      8       4.1602     -0.00000
      9       5.1099     -0.00000
     10       5.3957     -0.00000
     11       5.9261     -0.00000
     12       6.5080     -0.00000
     13       7.0248     -0.00000
     14       7.7676     -0.00000
     15       8.3668     -0.00000
     16       8.7345      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8156      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8168      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8191      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8195      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8225      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9645      1.00000
      2      -4.0475      1.00000
      3      -2.6904      1.00000
      4      -0.8993      1.00000
      5       0.0224      1.00000
      6       0.7688      1.00000
      7       1.7041      1.00000
      8       2.6105      1.00028
      9       4.0838     -0.00000
     10       4.2675     -0.00000
     11       4.9230     -0.00000
     12       5.7686     -0.00000
     13       6.6175     -0.00000
     14       7.4006     -0.00000
     15       7.4721     -0.00000
     16       8.8237      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6643      1.00000
      2      -2.6454      1.00000
      3      -1.7554      1.00000
      4      -1.7410      1.00000
      5      -0.6357      1.00000
      6      -0.2533      1.00000
      7       1.2437      1.00000
      8       1.9699      1.00000
      9       3.7557     -0.00014
     10       3.8839     -0.00000
     11       4.7664     -0.00000
     12       5.7918     -0.00000
     13       6.3907     -0.00000
     14       6.7492     -0.00000
     15       7.1532     -0.00000
     16       8.6724      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6432      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6432      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1755      1.00000
      2      -4.2585      1.00000
      3      -2.8988      1.00000
      4      -1.0835      1.00000
      5       1.1285      1.00000
      6       2.1709      1.00000
      7       2.3361      1.00000
      8       3.0491      0.92369
      9       3.4990     -0.02069
     10       4.2546     -0.00000
     11       4.5005     -0.00000
     12       4.8821     -0.00000
     13       6.2118     -0.00000
     14       6.8445     -0.00000
     15       7.1850     -0.00000
     16       8.6432      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0752      1.00000
      2      -2.1624      1.00000
      3      -0.8361      1.00000
      4      -0.5728      1.00000
      5       0.2488      1.00000
      6       0.8400      1.00000
      7       1.8140      1.00000
      8       1.8736      1.00000
      9       2.6095      1.00027
     10       3.1920      0.40485
     11       4.1157     -0.00000
     12       4.6699     -0.00000
     13       6.0348     -0.00000
     14       6.1416     -0.00000
     15       6.3382     -0.00000
     16       8.2050     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7946      1.00000
      2      -0.7922      1.00000
      3      -0.7611      1.00000
      4       0.0450      1.00000
      5       0.1270      1.00000
      6       0.1309      1.00000
      7       1.1365      1.00000
      8       1.1413      1.00000
      9       1.8208      1.00000
     10       2.6864      1.00170
     11       4.0876     -0.00000
     12       4.0907     -0.00000
     13       5.9463     -0.00000
     14       5.9495     -0.00000
     15       6.0150     -0.00000
     16       8.0088     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879   0.000   0.000   5.466   0.000   0.000
 -0.002  -0.003   0.000   1.880  -0.000   0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466   0.000   0.000  15.758   0.000   0.000
 -0.006  -0.010   0.000   5.468  -0.000   0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.950 -61.928  -0.000  -0.151  -0.000   0.000  -0.011   0.000
-61.928  33.076   0.000   0.072   0.000  -0.000   0.007  -0.000
 -0.000   0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.151   0.072  -0.000   1.696   0.000   0.000  -0.260  -0.000
 -0.000   0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
  0.000  -0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.011   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.2307: real time    428.2989
    FORNL :  cpu time      0.4993: real time      0.5052
    FORCOR:  cpu time      1.9581: real time      1.9699
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.618E-06 0.172E-07 0.180E+03   0.389E-13 0.234E-13 -.179E+03   -.774E-06 -.294E-06 -.104E+01
   -.109E-05 -.247E-07 0.910E+02   0.535E-14 0.105E-13 -.909E+02   0.888E-06 0.215E-06 -.645E-01
   0.795E-06 0.190E-06 -.117E+00   -.140E-12 -.824E-13 0.111E+00   -.755E-06 -.182E-06 0.794E-02
   -.211E-06 0.576E-07 -.911E+02   0.132E-12 0.803E-13 0.910E+02   0.304E-06 0.574E-07 0.774E-01
   -.352E-05 -.115E-06 -.180E+03   -.455E-13 -.286E-13 0.179E+03   0.322E-05 0.339E-06 0.101E+01
 -----------------------------------------------------------------------------------------------
   -.289E-05 0.507E-06 0.269E-02   -.971E-14 0.313E-14 -.568E-13   0.289E-05 0.136E-06 -.101E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000     -0.000000     -0.010608
      0.00000      0.00000      2.37914        -0.000000      0.000000      0.007663
      1.42873      0.82488      4.71608        -0.000001     -0.000001      0.003428
      2.85746      1.64976      7.05499         0.000000      0.000000     -0.002296
      0.00000      0.00000      9.43990        -0.000000      0.000000      0.001812
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000001     -0.008292


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90575357 eV

  energy  without entropy=      -13.90229077  energy(sigma->0) =      -13.90459931
 
 d Force = 0.7876920E-05[ 0.212E-05, 0.136E-04]  d Energy = 0.4200003E-05 0.368E-05
 d Force = 0.2648488E+00[ 0.265E+00, 0.265E+00]  d Ewald  = 0.2648488E+00-0.790E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9542: real time      1.9661


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.381E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   6.1871
 eigenvalue spectrum of G is  6.1871  6.1871


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0935
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0847
    POTLOK:  cpu time      1.9554: real time      1.9675
    EDDIAG:  cpu time    591.9553: real time    596.9144
    CHARGE:  cpu time      0.2685: real time      0.2707
 writing wavefunctions
     LOOP+:  cpu time   4593.3623: real time   4631.9971


--------------------------------------- Iteration     85(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7287
    SETDIJ:  cpu time      1.2312: real time      1.2367
    TRIAL :  cpu time    594.8629: real time    599.9742
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    597.1001: real time    602.2259

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4305360E-04  (-0.1333013E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013940 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.49090756
  -Hartree energ DENC   =      -684.43231356
  -exchange      EXHF   =        33.16863822
  -V(xc)+E(xc)   XCENC  =       -83.58069800
  PAW double counting   =    100931.06901277  -100830.10531894
  entropy T*S    EENTRO =        -0.00348685
  eigenvalues    EBANDS =       -35.09386738
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90571028 eV

  energy without entropy =      -13.90222343  energy(sigma->0) =      -13.90454799
  exchange ACFDT corr.  =        -0.00353367  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     85(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2433: real time      1.2487
    TRIAL :  cpu time    591.6456: real time    596.6870
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    593.8851: real time    598.9402

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2465422E-04  (-0.4059609E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013934 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.49090756
  -Hartree energ DENC   =      -684.68287607
  -exchange      EXHF   =        33.16931735
  -V(xc)+E(xc)   XCENC  =       -83.58044533
  PAW double counting   =    100934.91518355  -100833.95150996
  entropy T*S    EENTRO =        -0.00349535
  eigenvalues    EBANDS =       -34.84420942
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573493 eV

  energy without entropy =      -13.90223958  energy(sigma->0) =      -13.90456981
  exchange ACFDT corr.  =        -0.00358725  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     85(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2353: real time      1.2408
    TRIAL :  cpu time    595.5539: real time    600.6511
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    597.7867: real time    602.8978

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1031402E-04  (-0.2049768E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013925 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.49090756
  -Hartree energ DENC   =      -684.74836032
  -exchange      EXHF   =        33.16957290
  -V(xc)+E(xc)   XCENC  =       -83.58035066
  PAW double counting   =    100937.03065347  -100836.06698819
  entropy T*S    EENTRO =        -0.00348261
  eigenvalues    EBANDS =       -34.77906891
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90574525 eV

  energy without entropy =      -13.90226264  energy(sigma->0) =      -13.90458438
  exchange ACFDT corr.  =        -0.00357275  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     85(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7280
    SETDIJ:  cpu time      1.2292: real time      1.2345
    TRIAL :  cpu time    595.0981: real time    600.1754
    CORREC:  cpu time      0.0038: real time      0.0038
    EDDIAG:  cpu time    590.8531: real time    595.8961
    CHARGE:  cpu time      0.2693: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time   1188.1760: real time   1198.3099

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.9847688E-05  (-0.9986083E-05)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013915 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.49090756
  -Hartree energ DENC   =      -684.63949861
  -exchange      EXHF   =        33.16926498
  -V(xc)+E(xc)   XCENC  =       -83.58042628
  PAW double counting   =    100937.25927604  -100836.29560677
  entropy T*S    EENTRO =        -0.00347612
  eigenvalues    EBANDS =       -34.88768361
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575509 eV

  energy without entropy =      -13.90227898  energy(sigma->0) =      -13.90459639
  exchange ACFDT corr.  =        -0.00355959  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9363


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9024       2 -69.7940       3 -69.7921       4 -69.7794       5 -69.8831
 
 
 
 E-fermi :   3.1678     XC(G=0):  -5.1330     alpha+bet : -8.9779

 Fermi energy:         3.1677856204

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8318      1.00000
      2      -9.9281      1.00000
      3      -8.5879      1.00000
      4      -6.7683      1.00000
      5      -4.3835      1.00000
      6      -1.6079      1.00000
      7       1.5367      1.00000
      8       4.5581     -0.00000
      9       5.3908     -0.00000
     10       7.9144     -0.00000
     11       7.9442     -0.00000
     12      11.8757      0.00000
     13      12.1515      0.00000
     14      16.1184      0.00000
     15      16.1208      0.00000
     16      16.1255      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7559      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7560      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7571      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5600      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7874      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7873      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7872      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6135      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6134      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6137      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9965     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9965     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9965     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0158      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0284      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0395      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8142      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8161      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8159      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8180      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8235      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8264      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6425      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6426      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6426      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2034     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8028      1.00000
      2      -0.7995      1.00000
      3      -0.7686      1.00000
      4       0.0414      1.00000
      5       0.1251      1.00000
      6       0.1302      1.00000
      7       1.1328      1.00000
      8       1.1396      1.00000
      9       1.8206      1.00000
     10       2.6853      1.00169
     11       4.0835     -0.00000
     12       4.0902     -0.00000
     13       5.9460     -0.00000
     14       5.9480     -0.00000
     15       6.0116     -0.00000
     16       8.0075     -0.00000
 Fermi energy:         3.1677856204

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8318      1.00000
      2      -9.9281      1.00000
      3      -8.5879      1.00000
      4      -6.7683      1.00000
      5      -4.3835      1.00000
      6      -1.6079      1.00000
      7       1.5367      1.00000
      8       4.5581     -0.00000
      9       5.3908     -0.00000
     10       7.9144     -0.00000
     11       7.9442     -0.00000
     12      11.8757      0.00000
     13      12.1515      0.00000
     14      16.1184      0.00000
     15      16.1204      0.00000
     16      16.1255      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6232      1.00000
      2      -9.7189      1.00000
      3      -8.3775      1.00000
      4      -6.5563      1.00000
      5      -4.1674      1.00000
      6      -1.3977      1.00000
      7       1.7505      1.00000
      8       4.7414     -0.00000
      9       5.5653     -0.00000
     10       8.0827     -0.00000
     11       8.1099     -0.00000
     12      12.0099      0.00000
     13      12.2518      0.00000
     14      13.1719      0.00000
     15      13.9069      0.00000
     16      14.3822      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7563      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7560      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9972      1.00000
      2      -9.0909      1.00000
      3      -7.7463      1.00000
      4      -5.9202      1.00000
      5      -3.5202      1.00000
      6      -0.7677      1.00000
      7       2.3792      1.00000
      8       5.2758     -0.00000
      9       6.0837     -0.00000
     10       8.4685     -0.00000
     11       8.6004     -0.00000
     12       9.7696      0.00000
     13      10.3326      0.00000
     14      11.4070      0.00000
     15      12.4805      0.00000
     16      12.7559      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5600      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9532      1.00000
      2      -8.0433      1.00000
      3      -6.6932      1.00000
      4      -4.8598      1.00000
      5      -2.4471      1.00000
      6       0.2722      1.00000
      7       3.3489     -0.01212
      8       5.6635     -0.00000
      9       6.5279     -0.00000
     10       6.9125     -0.00000
     11       7.0350     -0.00000
     12       8.0972     -0.00000
     13       9.3878      0.00000
     14       9.5591      0.00000
     15       9.7867      0.00000
     16      11.5599      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7873      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7873      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4890      1.00000
      2      -6.5735      1.00000
      3      -5.2164      1.00000
      4      -3.3788      1.00000
      5      -0.9774      1.00000
      6       1.5784      1.00000
      7       2.6025      1.00024
      8       3.5834     -0.00620
      9       4.8265     -0.00000
     10       5.0778     -0.00000
     11       6.5206     -0.00000
     12       7.5894     -0.00000
     13       8.1937     -0.00000
     14       8.6730      0.00000
     15      10.4976      0.00000
     16      10.7871      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6006      1.00000
      2      -4.6791      1.00000
      3      -3.3210      1.00000
      4      -1.5207      1.00000
      5      -0.6020      1.00000
      6       0.1649      1.00000
      7       1.1104      1.00000
      8       2.0346      1.00000
      9       3.6458     -0.00187
     10       3.7307     -0.00025
     11       5.8937     -0.00000
     12       6.6452     -0.00000
     13       8.2183     -0.00000
     14       9.1442      0.00000
     15       9.7351      0.00000
     16      10.4627      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2980      1.00000
      2      -3.2793      1.00000
      3      -2.3767      1.00000
      4      -2.3708      1.00000
      5      -1.2526      1.00000
      6      -0.8680      1.00000
      7       0.6406      1.00000
      8       1.3739      1.00000
      9       3.3480     -0.01138
     10       3.4782     -0.02533
     11       5.6677     -0.00000
     12       6.0017     -0.00000
     13       8.3442     -0.00000
     14       8.8177      0.00000
     15      10.2951      0.00000
     16      10.5252      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6136      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6134      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2059      1.00000
      2      -9.3003      1.00000
      3      -7.9568      1.00000
      4      -6.1323      1.00000
      5      -3.7358      1.00000
      6      -0.9775      1.00000
      7       2.1722      1.00000
      8       5.1018     -0.00000
      9       5.9123     -0.00000
     10       8.4094     -0.00000
     11       8.4212     -0.00000
     12      11.4842      0.00000
     13      11.5000      0.00000
     14      11.9256      0.00000
     15      12.0604      0.00000
     16      12.6139      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3709      1.00000
      2      -8.4625      1.00000
      3      -7.1146      1.00000
      4      -5.2839      1.00000
      5      -2.8751      1.00000
      6      -0.1408      1.00000
      7       2.9835      1.01514
      8       5.7633     -0.00000
      9       6.5830     -0.00000
     10       7.9095     -0.00000
     11       8.6346      0.00000
     12       8.9929      0.00000
     13       9.4101      0.00000
     14       9.8651      0.00000
     15      10.2228      0.00000
     16      10.7760      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1171      1.00000
      2      -7.2040      1.00000
      3      -5.8497      1.00000
      4      -4.0124      1.00000
      5      -1.5982      1.00000
      6       1.0811      1.00000
      7       3.8084     -0.00003
      8       4.6998     -0.00000
      9       5.4476     -0.00000
     10       6.5362     -0.00000
     11       7.0385     -0.00000
     12       7.6781     -0.00000
     13       8.1833     -0.00000
     14       8.9480      0.00000
     15       9.6410      0.00000
     16       9.9936      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9965     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9965     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4411      1.00000
      2      -5.5218      1.00000
      3      -4.1619      1.00000
      4      -2.3306      1.00000
      5      -0.0157      1.00000
      6       1.0645      1.00000
      7       2.0302      1.00000
      8       2.9904      1.00928
      9       3.5516     -0.01034
     10       5.1933     -0.00000
     11       5.8445     -0.00000
     12       7.3009     -0.00000
     13       7.9964     -0.00000
     14       8.6280      0.00000
     15       9.0854      0.00000
     16       9.1592      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3397      1.00000
      2      -3.4180      1.00000
      3      -2.0764      1.00000
      4      -1.8256      1.00000
      5      -0.9775      1.00000
      6      -0.3467      1.00000
      7       0.6663      1.00000
      8       2.2708      1.00000
      9       2.6397      1.00060
     10       4.7067     -0.00000
     11       4.8829     -0.00000
     12       7.0276     -0.00000
     13       7.4794     -0.00000
     14       8.0253     -0.00000
     15       8.8740      0.00000
     16       9.6753      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0155      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0216      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3264      1.00000
      2      -7.4141      1.00000
      3      -6.0607      1.00000
      4      -4.2240      1.00000
      5      -1.8084      1.00000
      6       0.8881      1.00000
      7       3.8977     -0.00000
      8       6.0401     -0.00000
      9       6.5487     -0.00000
     10       7.2640     -0.00000
     11       7.3244     -0.00000
     12       7.5437     -0.00000
     13       7.5866     -0.00000
     14       8.4120     -0.00000
     15       8.7693      0.00000
     16      10.0176      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8613      1.00000
      2      -5.9434      1.00000
      3      -4.5840      1.00000
      4      -2.7464      1.00000
      5      -0.3560      1.00000
      6       2.1652      1.00000
      7       3.1923      0.39733
      8       4.1585     -0.00000
      9       5.1055     -0.00000
     10       5.3935     -0.00000
     11       5.9230     -0.00000
     12       6.5061     -0.00000
     13       7.0225     -0.00000
     14       7.7658     -0.00000
     15       8.3669     -0.00000
     16       8.7383      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8127      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8136      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8162      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8167      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8194      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9721      1.00000
      2      -4.0495      1.00000
      3      -2.6922      1.00000
      4      -0.9018      1.00000
      5       0.0145      1.00000
      6       0.7669      1.00000
      7       1.7029      1.00000
      8       2.6089      1.00028
      9       4.0822     -0.00000
     10       4.2636     -0.00000
     11       4.9169     -0.00000
     12       5.7669     -0.00000
     13       6.6172     -0.00000
     14       7.3997     -0.00000
     15       7.4696     -0.00000
     16       8.8209      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6719      1.00000
      2      -2.6529      1.00000
      3      -1.7581      1.00000
      4      -1.7424      1.00000
      5      -0.6381      1.00000
      6      -0.2547      1.00000
      7       1.2418      1.00000
      8       1.9676      1.00000
      9       3.7546     -0.00014
     10       3.8794     -0.00000
     11       4.7609     -0.00000
     12       5.7907     -0.00000
     13       6.3900     -0.00000
     14       6.7471     -0.00000
     15       7.1509     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6425      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6425      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1831      1.00000
      2      -4.2605      1.00000
      3      -2.9006      1.00000
      4      -1.0860      1.00000
      5       1.1259      1.00000
      6       2.1633      1.00000
      7       2.3297      1.00000
      8       3.0465      0.92356
      9       3.4985     -0.02067
     10       4.2534     -0.00000
     11       4.4976     -0.00000
     12       4.8804     -0.00000
     13       6.2101     -0.00000
     14       6.8420     -0.00000
     15       7.1839     -0.00000
     16       8.6425      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0829      1.00000
      2      -2.1644      1.00000
      3      -0.8382      1.00000
      4      -0.5802      1.00000
      5       0.2462      1.00000
      6       0.8379      1.00000
      7       1.8092      1.00000
      8       1.8688      1.00000
      9       2.6080      1.00027
     10       3.1906      0.40509
     11       4.1134     -0.00000
     12       4.6687     -0.00000
     13       6.0342     -0.00000
     14       6.1390     -0.00000
     15       6.3355     -0.00000
     16       8.2035     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8028      1.00000
      2      -0.7995      1.00000
      3      -0.7686      1.00000
      4       0.0414      1.00000
      5       0.1251      1.00000
      6       0.1302      1.00000
      7       1.1328      1.00000
      8       1.1396      1.00000
      9       1.8206      1.00000
     10       2.6853      1.00169
     11       4.0835     -0.00000
     12       4.0902     -0.00000
     13       5.9460     -0.00000
     14       5.9480     -0.00000
     15       6.0116     -0.00000
     16       8.0077     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.497  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.956 -61.931   0.000  -0.153   0.000  -0.000  -0.010  -0.000
-61.931  33.077  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.153   0.073   0.000   1.696  -0.000  -0.000  -0.260   0.000
  0.000  -0.000  -0.000  -0.000   2.062   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.7628: real time    427.8350
    FORNL :  cpu time      0.4981: real time      0.5054
    FORCOR:  cpu time      1.9588: real time      1.9700
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.140E-05 0.213E-05 0.180E+03   0.385E-13 0.244E-13 -.179E+03   -.179E-05 -.253E-05 -.104E+01
   0.121E-05 0.627E-06 0.910E+02   0.315E-14 0.223E-14 -.909E+02   -.990E-06 -.534E-06 -.688E-01
   0.445E-07 -.271E-06 -.124E+00   -.136E-12 -.799E-13 0.107E+00   -.217E-06 0.536E-07 0.889E-02
   0.791E-07 0.275E-05 -.911E+02   0.134E-12 0.815E-13 0.910E+02   -.878E-07 -.363E-05 0.856E-01
   -.347E-05 -.201E-06 -.180E+03   -.493E-13 -.252E-13 0.179E+03   0.362E-05 0.442E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.328E-07 0.581E-05 -.287E-01   -.971E-14 0.313E-14 0.000E+00   0.538E-06 -.620E-05 0.339E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.017388
      0.00000      0.00000      2.37934         0.000000      0.000000     -0.013764
      1.42873      0.82488      4.71602        -0.000001     -0.000000     -0.002824
      2.85746      1.64976      7.05458         0.000000     -0.000001      0.015624
      0.00000      0.00000      9.43953         0.000000      0.000000      0.018352
 -----------------------------------------------------------------------------------
    total drift:                                0.000001     -0.000001     -0.025220


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90575509 eV

  energy  without entropy=      -13.90227898  energy(sigma->0) =      -13.90459639
 
 d Force =-0.7067238E-05[-0.157E-04, 0.156E-05]  d Energy = 0.1518783E-05-0.859E-05
 d Force =-0.1211701E+00[-0.121E+00,-0.121E+00]  d Ewald  =-0.1211701E+00 0.282E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9517: real time      1.9637


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.375E-04   g(Stress)= 0.000E+00

 retain information from N=  3 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   6.3344
 eigenvalue spectrum of G is  6.6126  6.6126  5.7780


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0544
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0845
    POTLOK:  cpu time      1.9514: real time      1.9637
    EDDIAG:  cpu time    595.1126: real time    600.0949
    CHARGE:  cpu time      0.2684: real time      0.2706
 writing wavefunctions
     LOOP+:  cpu time   4004.4834: real time   4038.2431


--------------------------------------- Iteration     86(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2428: real time      1.2494
    TRIAL :  cpu time    594.5127: real time    599.6501
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    596.7617: real time    601.9147

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2064806E-02  (-0.8083265E-02)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013963 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -685.38882625
  -exchange      EXHF   =        33.17141414
  -V(xc)+E(xc)   XCENC  =       -83.57959148
  PAW double counting   =    100945.70033205  -100844.73674119
  entropy T*S    EENTRO =        -0.00346263
  eigenvalues    EBANDS =       -34.02705038
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90368044 eV

  energy without entropy =      -13.90021781  energy(sigma->0) =      -13.90252623
  exchange ACFDT corr.  =        -0.00360960  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7285
    SETDIJ:  cpu time      1.2310: real time      1.2367
    TRIAL :  cpu time    594.2672: real time    599.4042
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    596.4943: real time    601.6456

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1293055E-03  (-0.5248082E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013943 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.34321479
  -exchange      EXHF   =        33.16861245
  -V(xc)+E(xc)   XCENC  =       -83.58066178
  PAW double counting   =    100934.52940802  -100833.56573598
  entropy T*S    EENTRO =        -0.00342669
  eigenvalues    EBANDS =       -35.06886358
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90355113 eV

  energy without entropy =      -13.90012444  energy(sigma->0) =      -13.90240890
  exchange ACFDT corr.  =        -0.00353097  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2361: real time      1.2419
    TRIAL :  cpu time    592.0910: real time    597.2313
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2686: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    594.3227: real time    599.4780

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1905913E-02  (-0.2351613E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013927 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.05149413
  -exchange      EXHF   =        33.16760626
  -V(xc)+E(xc)   XCENC  =       -83.58104408
  PAW double counting   =    100931.99463741  -100831.03090491
  entropy T*S    EENTRO =        -0.00348269
  eigenvalues    EBANDS =       -35.36119807
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90545705 eV

  energy without entropy =      -13.90197435  energy(sigma->0) =      -13.90429615
  exchange ACFDT corr.  =        -0.00356960  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2316: real time      1.2370
    TRIAL :  cpu time    594.7919: real time    599.9179
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2689: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    597.0187: real time    602.1588

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1502199E-04  (-0.1149508E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013924 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.50931784
  -exchange      EXHF   =        33.16848587
  -V(xc)+E(xc)   XCENC  =       -83.58071525
  PAW double counting   =    100938.18505303  -100837.22132533
  entropy T*S    EENTRO =        -0.00351274
  eigenvalues    EBANDS =       -34.90453702
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90547207 eV

  energy without entropy =      -13.90195933  energy(sigma->0) =      -13.90430116
  exchange ACFDT corr.  =        -0.00358208  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2309: real time      1.2367
    TRIAL :  cpu time    593.3806: real time    598.4774
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    595.6081: real time    600.7190

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4811518E-04  (-0.7295352E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013925 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.76157801
  -exchange      EXHF   =        33.16905116
  -V(xc)+E(xc)   XCENC  =       -83.58050785
  PAW double counting   =    100941.78778822  -100840.82409951
  entropy T*S    EENTRO =        -0.00348808
  eigenvalues    EBANDS =       -34.65293240
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90542395 eV

  energy without entropy =      -13.90193587  energy(sigma->0) =      -13.90426126
  exchange ACFDT corr.  =        -0.00358284  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7284
    SETDIJ:  cpu time      1.2317: real time      1.2374
    TRIAL :  cpu time    591.3468: real time    596.4021
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.5746: real time    598.6439

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3269789E-03  ( 0.3676984E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013929 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.58138008
  -exchange      EXHF   =        33.16866260
  -V(xc)+E(xc)   XCENC  =       -83.58066112
  PAW double counting   =    100939.88414655  -100838.92043885
  entropy T*S    EENTRO =        -0.00346496
  eigenvalues    EBANDS =       -34.83295910
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575093 eV

  energy without entropy =      -13.90228598  energy(sigma->0) =      -13.90459595
  exchange ACFDT corr.  =        -0.00355862  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7283
    SETDIJ:  cpu time      1.2318: real time      1.2371
    TRIAL :  cpu time    589.2700: real time    594.3375
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    591.4976: real time    596.5793

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5120410E-04  (-0.1979999E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013932 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.40957124
  -exchange      EXHF   =        33.16832550
  -V(xc)+E(xc)   XCENC  =       -83.58079289
  PAW double counting   =    100938.04505264  -100837.08133933
  entropy T*S    EENTRO =        -0.00347127
  eigenvalues    EBANDS =       -35.00427662
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569973 eV

  energy without entropy =      -13.90222846  energy(sigma->0) =      -13.90454264
  exchange ACFDT corr.  =        -0.00353673  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7216: real time      0.7281
    SETDIJ:  cpu time      1.2330: real time      1.2382
    TRIAL :  cpu time    596.9276: real time    602.0276
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    599.1559: real time    604.2699

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2208436E-04  (-0.8670879E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013932 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.46388498
  -exchange      EXHF   =        33.16853833
  -V(xc)+E(xc)   XCENC  =       -83.58071403
  PAW double counting   =    100938.95895197  -100837.99524283
  entropy T*S    EENTRO =        -0.00348417
  eigenvalues    EBANDS =       -34.95026618
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572181 eV

  energy without entropy =      -13.90223764  energy(sigma->0) =      -13.90456042
  exchange ACFDT corr.  =        -0.00357977  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2315: real time      1.2370
    TRIAL :  cpu time    590.1497: real time    595.2512
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    592.3771: real time    597.4924

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3821957E-04  ( 0.1542163E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013928 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.57041520
  -exchange      EXHF   =        33.16884273
  -V(xc)+E(xc)   XCENC  =       -83.58059662
  PAW double counting   =    100940.61451592  -100839.65081166
  entropy T*S    EENTRO =        -0.00348482
  eigenvalues    EBANDS =       -34.84417820
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576003 eV

  energy without entropy =      -13.90227522  energy(sigma->0) =      -13.90459843
  exchange ACFDT corr.  =        -0.00358325  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2326: real time      1.2380
    TRIAL :  cpu time    590.9719: real time    595.9955
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.2010: real time    598.2384

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8682429E-05  (-0.3345907E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013923 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.57319251
  -exchange      EXHF   =        33.16886200
  -V(xc)+E(xc)   XCENC  =       -83.58058736
  PAW double counting   =    100941.24582347  -100840.28212137
  entropy T*S    EENTRO =        -0.00347884
  eigenvalues    EBANDS =       -34.84141793
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575135 eV

  energy without entropy =      -13.90227251  energy(sigma->0) =      -13.90459174
  exchange ACFDT corr.  =        -0.00355633  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     86(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7290
    SETDIJ:  cpu time      1.2323: real time      1.2378
    TRIAL :  cpu time    591.7421: real time    596.8396
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    590.8922: real time    595.8425
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time   1184.8633: real time   1194.9252

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5818598E-05  (-0.7918044E-05)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0013918 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.37898292
  -Hartree energ DENC   =      -684.51926905
  -exchange      EXHF   =        33.16867171
  -V(xc)+E(xc)   XCENC  =       -83.58063966
  PAW double counting   =    100941.23612033  -100840.27240756
  entropy T*S    EENTRO =        -0.00347711
  eigenvalues    EBANDS =       -34.89517203
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575717 eV

  energy without entropy =      -13.90228006  energy(sigma->0) =      -13.90459813
  exchange ACFDT corr.  =        -0.00355013  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9698


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8760       2 -69.7763       3 -69.7946       4 -69.7998       5 -69.9080
 
 
 
 E-fermi :   3.1681     XC(G=0):  -5.1331     alpha+bet : -8.9779

 Fermi energy:         3.1680774481

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8328      1.00000
      2      -9.9283      1.00000
      3      -8.5881      1.00000
      4      -6.7688      1.00000
      5      -4.3842      1.00000
      6      -1.6084      1.00000
      7       1.5359      1.00000
      8       4.5576     -0.00000
      9       5.3915     -0.00000
     10       7.9148     -0.00000
     11       7.9441     -0.00000
     12      11.8760      0.00000
     13      12.1513      0.00000
     14      16.1176      0.00000
     15      16.1203      0.00000
     16      16.1247      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7557      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7557      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7567      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5592      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5592      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5593      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4977      0.00000
     16      10.7873      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4977      0.00000
     16      10.7873      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4977      0.00000
     16      10.7872      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6134      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6134      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6133      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0154      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0278      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0390      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8136      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8146      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8149      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8171      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8229      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8261      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8026      1.00000
      2      -0.8016      1.00000
      3      -0.7694      1.00000
      4       0.0409      1.00000
      5       0.1267      1.00000
      6       0.1285      1.00000
      7       1.1337      1.00000
      8       1.1378      1.00000
      9       1.8207      1.00000
     10       2.6852      1.00169
     11       4.0798     -0.00000
     12       4.0929     -0.00000
     13       5.9435     -0.00000
     14       5.9494     -0.00000
     15       6.0104     -0.00000
     16       8.0070     -0.00000
 Fermi energy:         3.1680774481

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8328      1.00000
      2      -9.9283      1.00000
      3      -8.5881      1.00000
      4      -6.7688      1.00000
      5      -4.3842      1.00000
      6      -1.6084      1.00000
      7       1.5359      1.00000
      8       4.5576     -0.00000
      9       5.3915     -0.00000
     10       7.9148     -0.00000
     11       7.9441     -0.00000
     12      11.8760      0.00000
     13      12.1513      0.00000
     14      16.1176      0.00000
     15      16.1190      0.00000
     16      16.1247      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6241      1.00000
      2      -9.7191      1.00000
      3      -8.3778      1.00000
      4      -6.5568      1.00000
      5      -4.1682      1.00000
      6      -1.3981      1.00000
      7       1.7497      1.00000
      8       4.7409     -0.00000
      9       5.5659     -0.00000
     10       8.0830     -0.00000
     11       8.1099     -0.00000
     12      12.0101      0.00000
     13      12.2516      0.00000
     14      13.1709      0.00000
     15      13.9067      0.00000
     16      14.3814      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7560      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7557      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9981      1.00000
      2      -9.0911      1.00000
      3      -7.7466      1.00000
      4      -5.9206      1.00000
      5      -3.5210      1.00000
      6      -0.7682      1.00000
      7       2.3784      1.00000
      8       5.2753     -0.00000
      9       6.0844     -0.00000
     10       8.4686     -0.00000
     11       8.6006     -0.00000
     12       9.7687      0.00000
     13      10.3324      0.00000
     14      11.4067      0.00000
     15      12.4805      0.00000
     16      12.7556      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5592      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5593      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9541      1.00000
      2      -8.0435      1.00000
      3      -6.6934      1.00000
      4      -4.8603      1.00000
      5      -2.4478      1.00000
      6       0.2717      1.00000
      7       3.3481     -0.01172
      8       5.6629     -0.00000
      9       6.5276     -0.00000
     10       6.9121     -0.00000
     11       7.0354     -0.00000
     12       8.0969     -0.00000
     13       9.3879      0.00000
     14       9.5590      0.00000
     15       9.7865      0.00000
     16      11.5592      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4977      0.00000
     16      10.7872      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4978      0.00000
     16      10.7872      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4899      1.00000
      2      -6.5737      1.00000
      3      -5.2167      1.00000
      4      -3.3793      1.00000
      5      -0.9781      1.00000
      6       1.5779      1.00000
      7       2.6018      1.00024
      8       3.5832     -0.00617
      9       4.8263     -0.00000
     10       5.0768     -0.00000
     11       6.5201     -0.00000
     12       7.5890     -0.00000
     13       8.1943     -0.00000
     14       8.6723      0.00000
     15      10.4978      0.00000
     16      10.7871      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6015      1.00000
      2      -4.6793      1.00000
      3      -3.3212      1.00000
      4      -1.5211      1.00000
      5      -0.6029      1.00000
      6       0.1646      1.00000
      7       1.1101      1.00000
      8       2.0343      1.00000
      9       3.6455     -0.00188
     10       3.7301     -0.00026
     11       5.8930     -0.00000
     12       6.6444     -0.00000
     13       8.2178     -0.00000
     14       9.1439      0.00000
     15       9.7357      0.00000
     16      10.4619      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2989      1.00000
      2      -3.2803      1.00000
      3      -2.3768      1.00000
      4      -2.3712      1.00000
      5      -1.2529      1.00000
      6      -0.8681      1.00000
      7       0.6403      1.00000
      8       1.3734      1.00000
      9       3.3475     -0.01108
     10       3.4772     -0.02543
     11       5.6674     -0.00000
     12       6.0011     -0.00000
     13       8.3435     -0.00000
     14       8.8170      0.00000
     15      10.2942      0.00000
     16      10.5248      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6133      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6133      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2068      1.00000
      2      -9.3005      1.00000
      3      -7.9571      1.00000
      4      -6.1327      1.00000
      5      -3.7365      1.00000
      6      -0.9779      1.00000
      7       2.1714      1.00000
      8       5.1014     -0.00000
      9       5.9129     -0.00000
     10       8.4097     -0.00000
     11       8.4211     -0.00000
     12      11.4832      0.00000
     13      11.4993      0.00000
     14      11.9252      0.00000
     15      12.0604      0.00000
     16      12.6141      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3719      1.00000
      2      -8.4628      1.00000
      3      -7.1149      1.00000
      4      -5.2844      1.00000
      5      -2.8759      1.00000
      6      -0.1413      1.00000
      7       2.9827      1.01553
      8       5.7629     -0.00000
      9       6.5837     -0.00000
     10       7.9089     -0.00000
     11       8.6342      0.00000
     12       8.9931      0.00000
     13       9.4101      0.00000
     14       9.8649      0.00000
     15      10.2220      0.00000
     16      10.7757      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1180      1.00000
      2      -7.2042      1.00000
      3      -5.8499      1.00000
      4      -4.0129      1.00000
      5      -1.5989      1.00000
      6       1.0806      1.00000
      7       3.8076     -0.00003
      8       4.6992     -0.00000
      9       5.4472     -0.00000
     10       6.5357     -0.00000
     11       7.0382     -0.00000
     12       7.6787     -0.00000
     13       8.1829     -0.00000
     14       8.9474      0.00000
     15       9.6406      0.00000
     16       9.9931      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01032
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4420      1.00000
      2      -5.5220      1.00000
      3      -4.1622      1.00000
      4      -2.3310      1.00000
      5      -0.0164      1.00000
      6       1.0636      1.00000
      7       2.0300      1.00000
      8       2.9901      1.00934
      9       3.5512     -0.01033
     10       5.1928     -0.00000
     11       5.8437     -0.00000
     12       7.3001     -0.00000
     13       7.9959     -0.00000
     14       8.6275     -0.00000
     15       9.0859      0.00000
     16       9.1588      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3407      1.00000
      2      -3.4183      1.00000
      3      -2.0766      1.00000
      4      -1.8265      1.00000
      5      -0.9778      1.00000
      6      -0.3470      1.00000
      7       0.6661      1.00000
      8       2.2705      1.00000
      9       2.6389      1.00060
     10       4.7060     -0.00000
     11       4.8823     -0.00000
     12       7.0270     -0.00000
     13       7.4788     -0.00000
     14       8.0248     -0.00000
     15       8.8736      0.00000
     16       9.6749      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0152      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0209      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3273      1.00000
      2      -7.4143      1.00000
      3      -6.0610      1.00000
      4      -4.2245      1.00000
      5      -1.8091      1.00000
      6       0.8876      1.00000
      7       3.8970     -0.00000
      8       6.0395     -0.00000
      9       6.5481     -0.00000
     10       7.2635     -0.00000
     11       7.3237     -0.00000
     12       7.5437     -0.00000
     13       7.5870     -0.00000
     14       8.4118     -0.00000
     15       8.7690      0.00000
     16      10.0175      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8622      1.00000
      2      -5.9436      1.00000
      3      -4.5842      1.00000
      4      -2.7468      1.00000
      5      -0.3567      1.00000
      6       2.1646      1.00000
      7       3.1916      0.39694
      8       4.1583     -0.00000
      9       5.1047     -0.00000
     10       5.3932     -0.00000
     11       5.9225     -0.00000
     12       6.5056     -0.00000
     13       7.0220     -0.00000
     14       7.7654     -0.00000
     15       8.3666     -0.00000
     16       8.7389      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8120      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8129      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8147      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8151      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8178      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9730      1.00000
      2      -4.0497      1.00000
      3      -2.6925      1.00000
      4      -0.9023      1.00000
      5       0.0136      1.00000
      6       0.7665      1.00000
      7       1.7025      1.00000
      8       2.6086      1.00028
      9       4.0820     -0.00000
     10       4.2628     -0.00000
     11       4.9160     -0.00000
     12       5.7667     -0.00000
     13       6.6170     -0.00000
     14       7.3994     -0.00000
     15       7.4686     -0.00000
     16       8.8203      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6729      1.00000
      2      -2.6539      1.00000
      3      -1.7584      1.00000
      4      -1.7425      1.00000
      5      -0.6385      1.00000
      6      -0.2548      1.00000
      7       1.2414      1.00000
      8       1.9672      1.00000
      9       3.7542     -0.00014
     10       3.8783     -0.00000
     11       4.7601     -0.00000
     12       5.7905     -0.00000
     13       6.3899     -0.00000
     14       6.7466     -0.00000
     15       7.1505     -0.00000
     16       8.6692      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1840      1.00000
      2      -4.2607      1.00000
      3      -2.9008      1.00000
      4      -1.0864      1.00000
      5       1.1252      1.00000
      6       2.1624      1.00000
      7       2.3289      1.00000
      8       3.0462      0.92296
      9       3.4987     -0.02059
     10       4.2531     -0.00000
     11       4.4969     -0.00000
     12       4.8801     -0.00000
     13       6.2098     -0.00000
     14       6.8415     -0.00000
     15       7.1831     -0.00000
     16       8.6421      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2030     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0838      1.00000
      2      -2.1646      1.00000
      3      -0.8384      1.00000
      4      -0.5811      1.00000
      5       0.2459      1.00000
      6       0.8375      1.00000
      7       1.8087      1.00000
      8       1.8682      1.00000
      9       2.6079      1.00028
     10       3.1903      0.40501
     11       4.1127     -0.00000
     12       4.6685     -0.00000
     13       6.0339     -0.00000
     14       6.1383     -0.00000
     15       6.3347     -0.00000
     16       8.2029     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8026      1.00000
      2      -0.8016      1.00000
      3      -0.7694      1.00000
      4       0.0409      1.00000
      5       0.1267      1.00000
      6       0.1285      1.00000
      7       1.1337      1.00000
      8       1.1378      1.00000
      9       1.8207      1.00000
     10       2.6852      1.00169
     11       4.0798     -0.00000
     12       4.0929     -0.00000
     13       5.9435     -0.00000
     14       5.9494     -0.00000
     15       6.0104     -0.00000
     16       8.0072     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.767  23.494  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.465
 -0.000  -0.000   5.465  -0.000   0.000  15.757  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.764   0.000
  0.000   0.000   0.000   0.000   5.465   0.000   0.000  15.757
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.767  23.494   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.465
  0.000   0.000   5.465  -0.000   0.000  15.757  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.764   0.000
  0.000   0.000   0.000   0.000   5.465   0.000   0.000  15.757
 total augmentation occupancy for first ion, spin component:           1
115.955 -61.931   0.000  -0.152   0.000  -0.000  -0.010  -0.000
-61.931  33.077  -0.000   0.072  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.152   0.072  -0.000   1.695   0.000   0.000  -0.260  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.010   0.007   0.000  -0.260  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.1323: real time    428.2364
    FORNL :  cpu time      0.4981: real time      0.5041
    FORCOR:  cpu time      1.9576: real time      1.9691
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.789E-06 0.105E-05 0.180E+03   0.394E-13 0.271E-13 -.179E+03   -.117E-05 -.118E-05 -.104E+01
   0.748E-07 0.919E-06 0.910E+02   0.480E-14 0.425E-14 -.909E+02   -.192E-06 -.784E-06 -.660E-01
   0.279E-06 0.283E-06 -.117E+00   -.140E-12 -.832E-13 0.110E+00   -.119E-06 -.202E-06 0.101E-01
   -.567E-06 0.103E-05 -.911E+02   0.133E-12 0.792E-13 0.910E+02   0.579E-06 -.978E-06 0.833E-01
   -.825E-06 0.936E-06 -.180E+03   -.469E-13 -.243E-13 0.179E+03   0.113E-05 -.116E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.291E-06 0.441E-05 -.372E-02   -.971E-14 0.313E-14 0.000E+00   0.237E-06 -.431E-05 0.640E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.017533
      0.00000      0.00000      2.37942        -0.000000      0.000000     -0.002340
      1.42873      0.82488      4.71618        -0.000001     -0.000000      0.004046
      2.85746      1.64976      7.05490         0.000000      0.000000      0.009267
      0.00000      0.00000      9.44004         0.000000     -0.000000      0.006560
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.003128


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90575717 eV

  energy  without entropy=      -13.90228006  energy(sigma->0) =      -13.90459813
 
 d Force = 0.9672671E-05[ 0.672E-05, 0.126E-04]  d Energy = 0.2075554E-05 0.760E-05
 d Force = 0.1119246E+00[ 0.112E+00, 0.112E+00]  d Ewald  = 0.1119246E+00-0.682E-12


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9587: real time      1.9704


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.727E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.3426
 eigenvalue spectrum of G is  0.3426


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0778
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0846: real time      0.0850
    POTLOK:  cpu time      1.9541: real time      1.9666
    EDDIAG:  cpu time    596.6049: real time    601.6769
    CHARGE:  cpu time      0.2682: real time      0.2704
 writing wavefunctions
     LOOP+:  cpu time   8164.2807: real time   8233.8904


--------------------------------------- Iteration     87(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7241: real time      0.7303
    SETDIJ:  cpu time      1.2313: real time      1.2367
    TRIAL :  cpu time    591.8226: real time    596.9989
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.0609: real time    599.2523

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1051633E-03  (-0.3139430E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013944 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.81778827
  -exchange      EXHF   =        33.16954722
  -V(xc)+E(xc)   XCENC  =       -83.58029935
  PAW double counting   =    100944.15229380  -100843.18862518
  entropy T*S    EENTRO =        -0.00345985
  eigenvalues    EBANDS =       -34.51575511
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90564619 eV

  energy without entropy =      -13.90218634  energy(sigma->0) =      -13.90449290
  exchange ACFDT corr.  =        -0.00358470  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7215: real time      0.7286
    SETDIJ:  cpu time      1.2309: real time      1.2364
    TRIAL :  cpu time    593.6367: real time    598.7765
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    595.8639: real time    601.0185

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8782202E-04  (-0.3531687E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013939 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.36572038
  -exchange      EXHF   =        33.16832844
  -V(xc)+E(xc)   XCENC  =       -83.58076262
  PAW double counting   =    100938.92712429  -100837.96342886
  entropy T*S    EENTRO =        -0.00344514
  eigenvalues    EBANDS =       -34.96630976
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573401 eV

  energy without entropy =      -13.90228887  energy(sigma->0) =      -13.90458563
  exchange ACFDT corr.  =        -0.00353035  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7289
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    592.4951: real time    597.6666
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2698: real time      0.2721
    --------------------------------------------
      LOOP:  cpu time    594.7226: real time    599.9080

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5464957E-05  (-0.6750521E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013935 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.24415934
  -exchange      EXHF   =        33.16789360
  -V(xc)+E(xc)   XCENC  =       -83.58092896
  PAW double counting   =    100937.56153433  -100836.59782193
  entropy T*S    EENTRO =        -0.00346910
  eigenvalues    EBANDS =       -35.08729585
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572854 eV

  energy without entropy =      -13.90225944  energy(sigma->0) =      -13.90457218
  exchange ACFDT corr.  =        -0.00357033  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7283
    SETDIJ:  cpu time      1.2288: real time      1.2342
    TRIAL :  cpu time    592.9643: real time    598.1479
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    595.1891: real time    600.3867

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.3342539E-04  (-0.1152383E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013937 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.44008879
  -exchange      EXHF   =        33.16825677
  -V(xc)+E(xc)   XCENC  =       -83.58079380
  PAW double counting   =    100939.88377375  -100838.92006627
  entropy T*S    EENTRO =        -0.00348146
  eigenvalues    EBANDS =       -34.89186928
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576197 eV

  energy without entropy =      -13.90228051  energy(sigma->0) =      -13.90460148
  exchange ACFDT corr.  =        -0.00357558  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7290
    SETDIJ:  cpu time      1.2315: real time      1.2368
    TRIAL :  cpu time    591.7909: real time    596.9525
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.0188: real time    599.1942

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8395044E-05  (-0.1982901E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0013941 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.54624585
  -exchange      EXHF   =        33.16848929
  -V(xc)+E(xc)   XCENC  =       -83.58070782
  PAW double counting   =    100941.00895891  -100840.04524816
  entropy T*S    EENTRO =        -0.00347113
  eigenvalues    EBANDS =       -34.78601324
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575357 eV

  energy without entropy =      -13.90228244  energy(sigma->0) =      -13.90459653
  exchange ACFDT corr.  =        -0.00355182  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7285
    SETDIJ:  cpu time      1.2320: real time      1.2375
    TRIAL :  cpu time    590.5742: real time    595.7172
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    592.8028: real time    597.9597

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1135936E-04  (-0.3457595E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013944 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.46988332
  -exchange      EXHF   =        33.16832783
  -V(xc)+E(xc)   XCENC  =       -83.58077196
  PAW double counting   =    100940.03896591  -100839.07524361
  entropy T*S    EENTRO =        -0.00346141
  eigenvalues    EBANDS =       -34.86218339
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576493 eV

  energy without entropy =      -13.90230352  energy(sigma->0) =      -13.90461113
  exchange ACFDT corr.  =        -0.00354172  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     87(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7287
    SETDIJ:  cpu time      1.2312: real time      1.2366
    TRIAL :  cpu time    594.7599: real time    599.9351
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    594.9383: real time    599.9746
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time   1191.9261: real time   1202.1515

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1354434E-05  (-0.3480231E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0013944 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.29711049
  -Hartree energ DENC   =      -684.39688376
  -exchange      EXHF   =        33.16827658
  -V(xc)+E(xc)   XCENC  =       -83.58082713
  PAW double counting   =    100939.28094380  -100838.31721066
  entropy T*S    EENTRO =        -0.00346392
  eigenvalues    EBANDS =       -34.93500617
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576358 eV

  energy without entropy =      -13.90229966  energy(sigma->0) =      -13.90460894
  exchange ACFDT corr.  =        -0.00353255  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.8839


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8938       2 -69.7955       3 -69.8031       4 -69.7901       5 -69.8864
 
 
 
 E-fermi :   3.1683     XC(G=0):  -5.1332     alpha+bet : -8.9779

 Fermi energy:         3.1682858250

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8379      1.00000
      2      -9.9305      1.00000
      3      -8.5899      1.00000
      4      -6.7705      1.00000
      5      -4.3864      1.00000
      6      -1.6101      1.00000
      7       1.5342      1.00000
      8       4.5575     -0.00000
      9       5.3947     -0.00000
     10       7.9166     -0.00000
     11       7.9448     -0.00000
     12      11.8768      0.00000
     13      12.1518      0.00000
     14      16.1118      0.00000
     15      16.1145      0.00000
     16      16.1197      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7548      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7549      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7557      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5569      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5569      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5570      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7880      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7880      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7879      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6128      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6128      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6129      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0155      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0281      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0394      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7009      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8108      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8124      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8122      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7009      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8144      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7009      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8196      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8226      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2011     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8085      1.00000
      2      -0.8063      1.00000
      3      -0.7744      1.00000
      4       0.0380      1.00000
      5       0.1242      1.00000
      6       0.1275      1.00000
      7       1.1312      1.00000
      8       1.1353      1.00000
      9       1.8200      1.00000
     10       2.6843      1.00169
     11       4.0836     -0.00000
     12       4.0857     -0.00000
     13       5.9436     -0.00000
     14       5.9464     -0.00000
     15       6.0068     -0.00000
     16       8.0061     -0.00000
 Fermi energy:         3.1682858250

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8379      1.00000
      2      -9.9305      1.00000
      3      -8.5899      1.00000
      4      -6.7705      1.00000
      5      -4.3864      1.00000
      6      -1.6101      1.00000
      7       1.5342      1.00000
      8       4.5575     -0.00000
      9       5.3947     -0.00000
     10       7.9166     -0.00000
     11       7.9448     -0.00000
     12      11.8768      0.00000
     13      12.1518      0.00000
     14      16.1118      0.00000
     15      16.1138      0.00000
     16      16.1197      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6293      1.00000
      2      -9.7212      1.00000
      3      -8.3796      1.00000
      4      -6.5585      1.00000
      5      -4.1703      1.00000
      6      -1.3999      1.00000
      7       1.7480      1.00000
      8       4.7408     -0.00000
      9       5.5691     -0.00000
     10       8.0848     -0.00000
     11       8.1105     -0.00000
     12      12.0108      0.00000
     13      12.2520      0.00000
     14      13.1657      0.00000
     15      13.9044      0.00000
     16      14.3760      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7551      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7548      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.0033      1.00000
      2      -9.0933      1.00000
      3      -7.7484      1.00000
      4      -5.9224      1.00000
      5      -3.5231      1.00000
      6      -0.7700      1.00000
      7       2.3767      1.00000
      8       5.2752     -0.00000
      9       6.0876     -0.00000
     10       8.4692     -0.00000
     11       8.6019     -0.00000
     12       9.7639      0.00000
     13      10.3305      0.00000
     14      11.4050      0.00000
     15      12.4807      0.00000
     16      12.7548      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5569      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5570      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9592      1.00000
      2      -8.0456      1.00000
      3      -6.6952      1.00000
      4      -4.8621      1.00000
      5      -2.4499      1.00000
      6       0.2699      1.00000
      7       3.3463     -0.01131
      8       5.6603     -0.00000
      9       6.5265     -0.00000
     10       6.9096     -0.00000
     11       7.0378     -0.00000
     12       8.0953     -0.00000
     13       9.3888      0.00000
     14       9.5589      0.00000
     15       9.7858      0.00000
     16      11.5569      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7880      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7880      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4950      1.00000
      2      -6.5759      1.00000
      3      -5.2185      1.00000
      4      -3.3811      1.00000
      5      -0.9803      1.00000
      6       1.5755      1.00000
      7       2.5975      1.00024
      8       3.5813     -0.00618
      9       4.8253     -0.00000
     10       5.0741     -0.00000
     11       6.5184     -0.00000
     12       7.5888     -0.00000
     13       8.1974     -0.00000
     14       8.6702      0.00000
     15      10.4985      0.00000
     16      10.7879      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.6067      1.00000
      2      -4.6815      1.00000
      3      -3.3230      1.00000
      4      -1.5230      1.00000
      5      -0.6082      1.00000
      6       0.1624      1.00000
      7       1.1085      1.00000
      8       2.0325      1.00000
      9       3.6442     -0.00188
     10       3.7276     -0.00026
     11       5.8910     -0.00000
     12       6.6428     -0.00000
     13       8.2160     -0.00000
     14       9.1437      0.00000
     15       9.7388      0.00000
     16      10.4565      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.3041      1.00000
      2      -3.2854      1.00000
      3      -2.3786      1.00000
      4      -2.3737      1.00000
      5      -1.2552      1.00000
      6      -0.8696      1.00000
      7       0.6389      1.00000
      8       1.3716      1.00000
      9       3.3461     -0.01080
     10       3.4742     -0.02551
     11       5.6660     -0.00000
     12       5.9991     -0.00000
     13       8.3418     -0.00000
     14       8.8154      0.00000
     15      10.2889      0.00000
     16      10.5235      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6129      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6128      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2120      1.00000
      2      -9.3026      1.00000
      3      -7.9589      1.00000
      4      -6.1345      1.00000
      5      -3.7387      1.00000
      6      -0.9797      1.00000
      7       2.1697      1.00000
      8       5.1013     -0.00000
      9       5.9161     -0.00000
     10       8.4115     -0.00000
     11       8.4218     -0.00000
     12      11.4779      0.00000
     13      11.4947      0.00000
     14      11.9238      0.00000
     15      12.0592      0.00000
     16      12.6133      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3770      1.00000
      2      -8.4649      1.00000
      3      -7.1167      1.00000
      4      -5.2862      1.00000
      5      -2.8780      1.00000
      6      -0.1431      1.00000
      7       2.9810      1.01591
      8       5.7627     -0.00000
      9       6.5867     -0.00000
     10       7.9053     -0.00000
     11       8.6317      0.00000
     12       8.9938      0.00000
     13       9.4101      0.00000
     14       9.8632      0.00000
     15      10.2175      0.00000
     16      10.7736      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1232      1.00000
      2      -7.2064      1.00000
      3      -5.8517      1.00000
      4      -4.0147      1.00000
      5      -1.6010      1.00000
      6       1.0788      1.00000
      7       3.8046     -0.00003
      8       4.6962     -0.00000
      9       5.4449     -0.00000
     10       6.5335     -0.00000
     11       7.0380     -0.00000
     12       7.6817     -0.00000
     13       8.1812     -0.00000
     14       8.9434      0.00000
     15       9.6382      0.00000
     16       9.9917      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4472      1.00000
      2      -5.5242      1.00000
      3      -4.1640      1.00000
      4      -2.3328      1.00000
      5      -0.0189      1.00000
      6       1.0589      1.00000
      7       2.0281      1.00000
      8       2.9887      1.00949
      9       3.5490     -0.01033
     10       5.1908     -0.00000
     11       5.8420     -0.00000
     12       7.2976     -0.00000
     13       7.9935     -0.00000
     14       8.6259     -0.00000
     15       9.0883      0.00000
     16       9.1566      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3458      1.00000
      2      -3.4204      1.00000
      3      -2.0786      1.00000
      4      -1.8316      1.00000
      5      -0.9803      1.00000
      6      -0.3487      1.00000
      7       0.6646      1.00000
      8       2.2692      1.00000
      9       2.6362      1.00060
     10       4.7038     -0.00000
     11       4.8806     -0.00000
     12       7.0247     -0.00000
     13       7.4765     -0.00000
     14       8.0221     -0.00000
     15       8.8712      0.00000
     16       9.6737      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0152      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0212      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3325      1.00000
      2      -7.4164      1.00000
      3      -6.0628      1.00000
      4      -4.2263      1.00000
      5      -1.8113      1.00000
      6       0.8858      1.00000
      7       3.8952     -0.00000
      8       6.0366     -0.00000
      9       6.5446     -0.00000
     10       7.2616     -0.00000
     11       7.3205     -0.00000
     12       7.5421     -0.00000
     13       7.5892     -0.00000
     14       8.4102     -0.00000
     15       8.7670      0.00000
     16      10.0173      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39596
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39596
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8674      1.00000
      2      -5.9457      1.00000
      3      -4.5860      1.00000
      4      -2.7486      1.00000
      5      -0.3589      1.00000
      6       2.1622      1.00000
      7       3.1873      0.39595
      8       4.1564     -0.00000
      9       5.1013     -0.00000
     10       5.3912     -0.00000
     11       5.9198     -0.00000
     12       6.5035     -0.00000
     13       7.0200     -0.00000
     14       7.7637     -0.00000
     15       8.3663     -0.00000
     16       8.7417      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7009      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8093      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8102      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8124      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8129      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7009      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8154      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9782      1.00000
      2      -4.0518      1.00000
      3      -2.6943      1.00000
      4      -0.9041      1.00000
      5       0.0083      1.00000
      6       0.7643      1.00000
      7       1.7008      1.00000
      8       2.6068      1.00028
      9       4.0806     -0.00000
     10       4.2598     -0.00000
     11       4.9117     -0.00000
     12       5.7648     -0.00000
     13       6.6160     -0.00000
     14       7.3980     -0.00000
     15       7.4658     -0.00000
     16       8.8173      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6781      1.00000
      2      -2.6590      1.00000
      3      -1.7610      1.00000
      4      -1.7443      1.00000
      5      -0.6407      1.00000
      6      -0.2563      1.00000
      7       1.2400      1.00000
      8       1.9654      1.00000
      9       3.7526     -0.00014
     10       3.8745     -0.00000
     11       4.7560     -0.00000
     12       5.7891     -0.00000
     13       6.3890     -0.00000
     14       6.7445     -0.00000
     15       7.1483     -0.00000
     16       8.6672      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1892      1.00000
      2      -4.2629      1.00000
      3      -2.9027      1.00000
      4      -1.0883      1.00000
      5       1.1225      1.00000
      6       2.1571      1.00000
      7       2.3244      1.00000
      8       3.0439      0.92294
      9       3.4975     -0.02062
     10       4.2518     -0.00000
     11       4.4944     -0.00000
     12       4.8784     -0.00000
     13       6.2084     -0.00000
     14       6.8395     -0.00000
     15       7.1813     -0.00000
     16       8.6409      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0889      1.00000
      2      -2.1668      1.00000
      3      -0.8405      1.00000
      4      -0.5861      1.00000
      5       0.2435      1.00000
      6       0.8357      1.00000
      7       1.8050      1.00000
      8       1.8648      1.00000
      9       2.6060      1.00027
     10       3.1890      0.40526
     11       4.1105     -0.00000
     12       4.6672     -0.00000
     13       6.0330     -0.00000
     14       6.1361     -0.00000
     15       6.3322     -0.00000
     16       8.2012     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.8085      1.00000
      2      -0.8063      1.00000
      3      -0.7744      1.00000
      4       0.0380      1.00000
      5       0.1242      1.00000
      6       0.1275      1.00000
      7       1.1312      1.00000
      8       1.1353      1.00000
      9       1.8200      1.00000
     10       2.6843      1.00169
     11       4.0836     -0.00000
     12       4.0857     -0.00000
     13       5.9436     -0.00000
     14       5.9464     -0.00000
     15       6.0068     -0.00000
     16       8.0063     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.956 -61.931   0.000  -0.152  -0.000  -0.000  -0.010   0.000
-61.931  33.077  -0.000   0.073   0.000   0.000   0.007  -0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.152   0.073   0.000   1.695  -0.000  -0.000  -0.260  -0.000
 -0.000   0.000  -0.000  -0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.260  -0.000   0.000   0.040   0.000
  0.000  -0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    424.6299: real time    427.7456
    FORNL :  cpu time      0.4980: real time      0.5039
    FORCOR:  cpu time      1.9590: real time      1.9703
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.105E-05 0.574E-06 0.180E+03   0.422E-13 0.247E-13 -.179E+03   -.149E-05 -.697E-06 -.104E+01
   0.382E-06 0.129E-06 0.910E+02   -.302E-15 0.856E-14 -.909E+02   -.796E-07 -.157E-06 -.655E-01
   0.394E-06 0.196E-06 -.112E+00   -.139E-12 -.861E-13 0.103E+00   -.355E-06 -.180E-06 0.837E-02
   -.137E-07 0.453E-06 -.911E+02   0.128E-12 0.766E-13 0.910E+02   0.747E-07 -.583E-06 0.814E-01
   -.145E-05 -.690E-07 -.179E+03   -.411E-13 -.207E-13 0.179E+03   0.159E-05 0.202E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.806E-06 0.160E-05 -.976E-02   -.971E-14 0.313E-14 0.284E-13   -.267E-06 -.141E-05 -.111E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.014898
      0.00000      0.00000      2.37955        -0.000000     -0.000000     -0.003526
      1.42873      0.82488      4.71657        -0.000000     -0.000000      0.001248
      2.85746      1.64976      7.05535         0.000001      0.000000      0.008064
      0.00000      0.00000      9.44033        -0.000000     -0.000000      0.009112
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000000     -0.011056


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90576358 eV

  energy  without entropy=      -13.90229966  energy(sigma->0) =      -13.90460894
 
 d Force = 0.6840920E-05[ 0.633E-05, 0.735E-05]  d Energy = 0.6410381E-05 0.431E-06
 d Force = 0.8187243E-01[ 0.819E-01, 0.819E-01]  d Ewald  = 0.8187243E-01-0.153E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9545: real time      1.9662


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.782E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.6715
 eigenvalue spectrum of G is  0.6715  0.6715


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0762
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0848: real time      0.0853
    POTLOK:  cpu time      1.9557: real time      1.9684
    EDDIAG:  cpu time    594.0966: real time    599.1184
    CHARGE:  cpu time      0.2691: real time      0.2714
 writing wavefunctions
     LOOP+:  cpu time   5784.9807: real time   5834.6379


--------------------------------------- Iteration     88(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7287
    SETDIJ:  cpu time      1.2406: real time      1.2463
    TRIAL :  cpu time    592.5390: real time    597.7063
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2692: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    594.7858: real time    599.9678

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3743047E-03  (-0.1259509E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014023 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.63518536
  -exchange      EXHF   =        33.16862513
  -V(xc)+E(xc)   XCENC  =       -83.58059935
  PAW double counting   =    100938.92813287  -100837.96438147
  entropy T*S    EENTRO =        -0.00344609
  eigenvalues    EBANDS =       -34.44006353
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90539063 eV

  energy without entropy =      -13.90194454  energy(sigma->0) =      -13.90424193
  exchange ACFDT corr.  =        -0.00356455  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7297
    SETDIJ:  cpu time      1.2366: real time      1.2421
    TRIAL :  cpu time    592.2174: real time    597.3733
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    594.4516: real time    599.6216

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4564041E-04  (-0.7304131E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014025 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.11532827
  -exchange      EXHF   =        33.16712167
  -V(xc)+E(xc)   XCENC  =       -83.58116640
  PAW double counting   =    100932.49124110  -100831.52746408
  entropy T*S    EENTRO =        -0.00343051
  eigenvalues    EBANDS =       -34.95797999
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90543627 eV

  energy without entropy =      -13.90200576  energy(sigma->0) =      -13.90429277
  exchange ACFDT corr.  =        -0.00350493  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7291
    SETDIJ:  cpu time      1.2358: real time      1.2412
    TRIAL :  cpu time    591.4215: real time    596.5216
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2688: real time      0.2711
    --------------------------------------------
      LOOP:  cpu time    593.6530: real time    598.7676

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2616851E-03  (-0.8006350E-04)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014029 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -683.96531654
  -exchange      EXHF   =        33.16648000
  -V(xc)+E(xc)   XCENC  =       -83.58140643
  PAW double counting   =    100930.04106215  -100829.07726855
  entropy T*S    EENTRO =        -0.00345805
  eigenvalues    EBANDS =       -35.10740386
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569795 eV

  energy without entropy =      -13.90223991  energy(sigma->0) =      -13.90454527
  exchange ACFDT corr.  =        -0.00355988  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7288
    SETDIJ:  cpu time      1.2354: real time      1.2409
    TRIAL :  cpu time    591.0325: real time    596.1112
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    593.2648: real time    598.3574

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2985653E-04  (-0.1626885E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014041 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.18159710
  -exchange      EXHF   =        33.16680795
  -V(xc)+E(xc)   XCENC  =       -83.58128199
  PAW double counting   =    100931.94439063  -100830.98059976
  entropy T*S    EENTRO =        -0.00347187
  eigenvalues    EBANDS =       -34.89157528
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572781 eV

  energy without entropy =      -13.90225594  energy(sigma->0) =      -13.90457052
  exchange ACFDT corr.  =        -0.00356519  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7279
    SETDIJ:  cpu time      1.2303: real time      1.2357
    TRIAL :  cpu time    595.0949: real time    600.1916
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2698: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    597.3213: real time    602.4318

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.7085240E-05  (-0.1112539E-03)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014051 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.30244620
  -exchange      EXHF   =        33.16706259
  -V(xc)+E(xc)   XCENC  =       -83.58118738
  PAW double counting   =    100932.75079072  -100831.78700583
  entropy T*S    EENTRO =        -0.00345913
  eigenvalues    EBANDS =       -34.77104854
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90572073 eV

  energy without entropy =      -13.90226160  energy(sigma->0) =      -13.90456768
  exchange ACFDT corr.  =        -0.00352869  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7228: real time      0.7289
    SETDIJ:  cpu time      1.2340: real time      1.2393
    TRIAL :  cpu time    594.1060: real time    599.2029
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    596.3364: real time    601.4470

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5198353E-04  (-0.2827862E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014054 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.21817004
  -exchange      EXHF   =        33.16690692
  -V(xc)+E(xc)   XCENC  =       -83.58124896
  PAW double counting   =    100931.93791898  -100830.97413316
  entropy T*S    EENTRO =        -0.00344727
  eigenvalues    EBANDS =       -34.85517311
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577271 eV

  energy without entropy =      -13.90232544  energy(sigma->0) =      -13.90462362
  exchange ACFDT corr.  =        -0.00351684  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2347: real time      1.2401
    TRIAL :  cpu time    590.3381: real time    595.4409
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2696: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    592.5696: real time    597.6862

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6207832E-05  (-0.2868287E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014053 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.13849579
  -exchange      EXHF   =        33.16677958
  -V(xc)+E(xc)   XCENC  =       -83.58129880
  PAW double counting   =    100931.77070259  -100830.80691804
  entropy T*S    EENTRO =        -0.00344961
  eigenvalues    EBANDS =       -34.93467457
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576650 eV

  energy without entropy =      -13.90231689  energy(sigma->0) =      -13.90461663
  exchange ACFDT corr.  =        -0.00350619  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7286
    SETDIJ:  cpu time      1.2304: real time      1.2359
    TRIAL :  cpu time    590.2943: real time    595.3420
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2690: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    592.5203: real time    597.5822

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.4289555E-05  (-0.1368388E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014049 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.16662740
  -exchange      EXHF   =        33.16689890
  -V(xc)+E(xc)   XCENC  =       -83.58125304
  PAW double counting   =    100933.17107398  -100832.20729763
  entropy T*S    EENTRO =        -0.00345540
  eigenvalues    EBANDS =       -34.90670178
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577079 eV

  energy without entropy =      -13.90231539  energy(sigma->0) =      -13.90461899
  exchange ACFDT corr.  =        -0.00356200  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     88(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7233: real time      0.7294
    SETDIJ:  cpu time      1.2354: real time      1.2409
    TRIAL :  cpu time    595.1995: real time    600.2775
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    596.6466: real time    601.6075
    CHARGE:  cpu time      0.2686: real time      0.2708
    --------------------------------------------
      LOOP:  cpu time   1194.0779: real time   1204.1306

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5930749E-05  (-0.1293027E-06)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014043 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       386.04020154
  -Hartree energ DENC   =      -684.21817875
  -exchange      EXHF   =        33.16704235
  -V(xc)+E(xc)   XCENC  =       -83.58119647
  PAW double counting   =    100934.87725297  -100833.91347016
  entropy T*S    EENTRO =        -0.00345536
  eigenvalues    EBANDS =       -34.85535850
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577672 eV

  energy without entropy =      -13.90232136  energy(sigma->0) =      -13.90462493
  exchange ACFDT corr.  =        -0.00351487  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9097


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8932       2 -69.7844       3 -69.7887       4 -69.7845       5 -69.8935
 
 
 
 E-fermi :   3.1685     XC(G=0):  -5.1333     alpha+bet : -8.9779

 Fermi energy:         3.1685010285

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8272      1.00000
      2      -9.9257      1.00000
      3      -8.5861      1.00000
      4      -6.7670      1.00000
      5      -4.3838      1.00000
      6      -1.6073      1.00000
      7       1.5354      1.00000
      8       4.5564     -0.00000
      9       5.3883     -0.00000
     10       7.9131     -0.00000
     11       7.9425     -0.00000
     12      11.8749      0.00000
     13      12.1502      0.00000
     14      16.1232      0.00000
     15      16.1255      0.00000
     16      16.1298      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7562      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7563      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7571      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7861      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7860      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7859      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6135      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6136      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0145      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0263      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0373      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8151      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8165      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8165      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8181      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8234      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8261      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40567
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7971      1.00000
      2      -0.7957      1.00000
      3      -0.7638      1.00000
      4       0.0445      1.00000
      5       0.1291      1.00000
      6       0.1311      1.00000
      7       1.1374      1.00000
      8       1.1395      1.00000
      9       1.8218      1.00000
     10       2.6864      1.00169
     11       4.0875     -0.00000
     12       4.0885     -0.00000
     13       5.9450     -0.00000
     14       5.9481     -0.00000
     15       6.0118     -0.00000
     16       8.0080     -0.00000
 Fermi energy:         3.1685010285

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8272      1.00000
      2      -9.9257      1.00000
      3      -8.5861      1.00000
      4      -6.7670      1.00000
      5      -4.3838      1.00000
      6      -1.6073      1.00000
      7       1.5354      1.00000
      8       4.5564     -0.00000
      9       5.3883     -0.00000
     10       7.9131     -0.00000
     11       7.9425     -0.00000
     12      11.8749      0.00000
     13      12.1502      0.00000
     14      16.1232      0.00000
     15      16.1248      0.00000
     16      16.1298      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6186      1.00000
      2      -9.7164      1.00000
      3      -8.3758      1.00000
      4      -6.5550      1.00000
      5      -4.1677      1.00000
      6      -1.3970      1.00000
      7       1.7492      1.00000
      8       4.7397     -0.00000
      9       5.5628     -0.00000
     10       8.0814     -0.00000
     11       8.1082     -0.00000
     12      12.0092      0.00000
     13      12.2507      0.00000
     14      13.1761      0.00000
     15      13.9092      0.00000
     16      14.3868      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7565      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7562      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9926      1.00000
      2      -9.0884      1.00000
      3      -7.7446      1.00000
      4      -5.9189      1.00000
      5      -3.5205      1.00000
      6      -0.7670      1.00000
      7       2.3779      1.00000
      8       5.2742     -0.00000
      9       6.0813     -0.00000
     10       8.4678     -0.00000
     11       8.5990     -0.00000
     12       9.7734      0.00000
     13      10.3349      0.00000
     14      11.4085      0.00000
     15      12.4797      0.00000
     16      12.7562      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9485      1.00000
      2      -8.0408      1.00000
      3      -6.6914      1.00000
      4      -4.8585      1.00000
      5      -2.4473      1.00000
      6       0.2729      1.00000
      7       3.3479     -0.01023
      8       5.6654     -0.00000
      9       6.5283     -0.00000
     10       6.9149     -0.00000
     11       7.0331     -0.00000
     12       8.0988     -0.00000
     13       9.3870      0.00000
     14       9.5587      0.00000
     15       9.7866      0.00000
     16      11.5602      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7860      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7860      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4843      1.00000
      2      -6.5710      1.00000
      3      -5.2146      1.00000
      4      -3.3775      1.00000
      5      -0.9775      1.00000
      6       1.5798      1.00000
      7       2.6064      1.00024
      8       3.5856     -0.00613
      9       4.8275     -0.00000
     10       5.0776     -0.00000
     11       6.5219     -0.00000
     12       7.5880     -0.00000
     13       8.1913     -0.00000
     14       8.6729      0.00000
     15      10.4967      0.00000
     16      10.7859      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5959      1.00000
      2      -4.6765      1.00000
      3      -3.3191      1.00000
      4      -1.5192      1.00000
      5      -0.5972      1.00000
      6       0.1669      1.00000
      7       1.1111      1.00000
      8       2.0359      1.00000
      9       3.6468     -0.00189
     10       3.7319     -0.00026
     11       5.8935     -0.00000
     12       6.6442     -0.00000
     13       8.2188     -0.00000
     14       9.1431      0.00000
     15       9.7327      0.00000
     16      10.4674      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2932      1.00000
      2      -3.2746      1.00000
      3      -2.3742      1.00000
      4      -2.3680      1.00000
      5      -1.2504      1.00000
      6      -0.8663      1.00000
      7       0.6419      1.00000
      8       1.3751      1.00000
      9       3.3476     -0.01002
     10       3.4783     -0.02576
     11       5.6685     -0.00000
     12       6.0023     -0.00000
     13       8.3431     -0.00000
     14       8.8171      0.00000
     15      10.2997      0.00000
     16      10.5256      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6135      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6135      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2013      1.00000
      2      -9.2978      1.00000
      3      -7.9550      1.00000
      4      -6.1310      1.00000
      5      -3.7361      1.00000
      6      -0.9768      1.00000
      7       2.1709      1.00000
      8       5.1002     -0.00000
      9       5.9098     -0.00000
     10       8.4082     -0.00000
     11       8.4196     -0.00000
     12      11.4886      0.00000
     13      11.5042      0.00000
     14      11.9272      0.00000
     15      12.0618      0.00000
     16      12.6140      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3663      1.00000
      2      -8.4601      1.00000
      3      -7.1129      1.00000
      4      -5.2826      1.00000
      5      -2.8754      1.00000
      6      -0.1402      1.00000
      7       2.9823      1.01691
      8       5.7620     -0.00000
      9       6.5808     -0.00000
     10       7.9129     -0.00000
     11       8.6368      0.00000
     12       8.9923      0.00000
     13       9.4098      0.00000
     14       9.8667      0.00000
     15      10.2264      0.00000
     16      10.7783      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1125      1.00000
      2      -7.2015      1.00000
      3      -5.8479      1.00000
      4      -4.0111      1.00000
      5      -1.5984      1.00000
      6       1.0819      1.00000
      7       3.8098     -0.00003
      8       4.7019     -0.00000
      9       5.4496     -0.00000
     10       6.5379     -0.00000
     11       7.0375     -0.00000
     12       7.6758     -0.00000
     13       8.1848     -0.00000
     14       8.9516      0.00000
     15       9.6431      0.00000
     16       9.9931      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4365      1.00000
      2      -5.5193      1.00000
      3      -4.1601      1.00000
      4      -2.3292      1.00000
      5      -0.0154      1.00000
      6       1.0689      1.00000
      7       2.0324      1.00000
      8       2.9912      1.00968
      9       3.5534     -0.01032
     10       5.1947     -0.00000
     11       5.8436     -0.00000
     12       7.3013     -0.00000
     13       7.9981     -0.00000
     14       8.6283     -0.00000
     15       9.0834      0.00000
     16       9.1611      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3350      1.00000
      2      -3.4155      1.00000
      3      -2.0745      1.00000
      4      -1.8209      1.00000
      5      -0.9748      1.00000
      6      -0.3451      1.00000
      7       0.6678      1.00000
      8       2.2711      1.00000
      9       2.6405      1.00059
     10       4.7069     -0.00000
     11       4.8834     -0.00000
     12       7.0289     -0.00000
     13       7.4802     -0.00000
     14       8.0270     -0.00000
     15       8.8758      0.00000
     16       9.6751      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0143      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0199      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3217      1.00000
      2      -7.4116      1.00000
      3      -6.0589      1.00000
      4      -4.2227      1.00000
      5      -1.8086      1.00000
      6       0.8888      1.00000
      7       3.8970     -0.00000
      8       6.0422     -0.00000
      9       6.5521     -0.00000
     10       7.2655     -0.00000
     11       7.3268     -0.00000
     12       7.5456     -0.00000
     13       7.5848     -0.00000
     14       8.4137     -0.00000
     15       8.7711      0.00000
     16      10.0163      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39411
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8566      1.00000
      2      -5.9409      1.00000
      3      -4.5821      1.00000
      4      -2.7450      1.00000
      5      -0.3561      1.00000
      6       2.1666      1.00000
      7       3.1963      0.39412
      8       4.1608     -0.00000
      9       5.1077     -0.00000
     10       5.3955     -0.00000
     11       5.9248     -0.00000
     12       6.5077     -0.00000
     13       7.0240     -0.00000
     14       7.7668     -0.00000
     15       8.3660     -0.00000
     16       8.7360      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8135      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8145      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8165      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8169      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8194      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9674      1.00000
      2      -4.0469      1.00000
      3      -2.6904      1.00000
      4      -0.9003      1.00000
      5       0.0193      1.00000
      6       0.7689      1.00000
      7       1.7036      1.00000
      8       2.6103      1.00028
      9       4.0835     -0.00000
     10       4.2653     -0.00000
     11       4.9206     -0.00000
     12       5.7688     -0.00000
     13       6.6174     -0.00000
     14       7.4001     -0.00000
     15       7.4696     -0.00000
     16       8.8209      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6672      1.00000
      2      -2.6482      1.00000
      3      -1.7553      1.00000
      4      -1.7400      1.00000
      5      -0.6360      1.00000
      6      -0.2530      1.00000
      7       1.2431      1.00000
      8       1.9688      1.00000
      9       3.7547     -0.00014
     10       3.8807     -0.00000
     11       4.7642     -0.00000
     12       5.7923     -0.00000
     13       6.3905     -0.00000
     14       6.7480     -0.00000
     15       7.1526     -0.00000
     16       8.6710      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1784      1.00000
      2      -4.2580      1.00000
      3      -2.8987      1.00000
      4      -1.0845      1.00000
      5       1.1265      1.00000
      6       2.1679      1.00000
      7       2.3339      1.00000
      8       3.0492      0.92190
      9       3.5004     -0.02052
     10       4.2547     -0.00000
     11       4.4992     -0.00000
     12       4.8819     -0.00000
     13       6.2113     -0.00000
     14       6.8431     -0.00000
     15       7.1829     -0.00000
     16       8.6421      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40567
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2035     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40567
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2036     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2036     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0781      1.00000
      2      -2.1618      1.00000
      3      -0.8362      1.00000
      4      -0.5755      1.00000
      5       0.2489      1.00000
      6       0.8395      1.00000
      7       1.8125      1.00000
      8       1.8719      1.00000
      9       2.6101      1.00028
     10       3.1918      0.40568
     11       4.1141     -0.00000
     12       4.6698     -0.00000
     13       6.0343     -0.00000
     14       6.1400     -0.00000
     15       6.3361     -0.00000
     16       8.2036     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7971      1.00000
      2      -0.7957      1.00000
      3      -0.7638      1.00000
      4       0.0445      1.00000
      5       0.1291      1.00000
      6       0.1311      1.00000
      7       1.1374      1.00000
      8       1.1395      1.00000
      9       1.8218      1.00000
     10       2.6864      1.00169
     11       4.0875     -0.00000
     12       4.0885     -0.00000
     13       5.9450     -0.00000
     14       5.9481     -0.00000
     15       6.0118     -0.00000
     16       8.0082     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.768  23.496  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880   0.000  -0.000   5.468   0.000
  0.000   0.000   0.000   0.000   1.879   0.000   0.000   5.466
 -0.000  -0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468   0.000  -0.000  15.765   0.000
  0.000   0.000   0.000   0.000   5.466   0.000   0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.951 -61.929   0.000  -0.153   0.000  -0.000  -0.010  -0.000
-61.929  33.076  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.061   0.000  -0.000  -0.320  -0.000   0.000
 -0.153   0.073   0.000   1.695  -0.000  -0.000  -0.259  -0.000
  0.000  -0.000  -0.000  -0.000   2.061   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.259   0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    425.2118: real time    428.3101
    FORNL :  cpu time      0.4979: real time      0.5040
    FORCOR:  cpu time      1.9641: real time      1.9754
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.910E-06 0.202E-06 0.180E+03   0.411E-13 0.251E-13 -.179E+03   -.118E-05 -.199E-06 -.104E+01
   -.484E-07 0.357E-06 0.910E+02   0.333E-16 0.428E-14 -.909E+02   0.493E-07 -.427E-06 -.665E-01
   0.432E-06 0.809E-06 -.887E-01   -.133E-12 -.810E-13 0.926E-01   -.371E-06 -.579E-06 0.734E-02
   -.129E-05 0.326E-06 -.911E+02   0.129E-12 0.784E-13 0.910E+02   0.123E-05 -.670E-06 0.816E-01
   -.682E-06 0.333E-06 -.179E+03   -.469E-13 -.236E-13 0.179E+03   0.851E-06 -.371E-06 0.102E+01
 -----------------------------------------------------------------------------------------------
   -.896E-07 0.250E-05 0.161E-01   -.971E-14 0.313E-14 0.000E+00   0.578E-06 -.225E-05 -.144E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.013212
      0.00000      0.00000      2.38002        -0.000000     -0.000000      0.009651
      1.42873      0.82488      4.71746        -0.000000      0.000000      0.007956
      2.85746      1.64976      7.05643         0.000000     -0.000000      0.001753
      0.00000      0.00000      9.44146         0.000000     -0.000000     -0.006149
 -----------------------------------------------------------------------------------
    total drift:                                0.000001      0.000000      0.014413


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90577672 eV

  energy  without entropy=      -13.90232136  energy(sigma->0) =      -13.90462493
 
 d Force = 0.1251751E-04[ 0.660E-05, 0.184E-04]  d Energy = 0.1314255E-04-0.625E-06
 d Force = 0.2569090E+00[ 0.257E+00, 0.257E+00]  d Ewald  = 0.2569090E+00-0.758E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9578: real time      1.9694


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.952E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   1.9377
 eigenvalue spectrum of G is  1.9377  1.9377


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0637
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0850
    POTLOK:  cpu time      1.9615: real time      1.9734
    EDDIAG:  cpu time    596.2219: real time    601.2516
    CHARGE:  cpu time      0.2689: real time      0.2715
 writing wavefunctions
     LOOP+:  cpu time   6978.0965: real time   7037.5258


--------------------------------------- Iteration     89(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2364: real time      1.2421
    TRIAL :  cpu time    594.0670: real time    599.2157
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2685: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    596.3089: real time    601.4740

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8392446E-03  (-0.3545556E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014059 magnetization      -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -683.80850605
  -exchange      EXHF   =        33.16571740
  -V(xc)+E(xc)   XCENC  =       -83.58169237
  PAW double counting   =    100930.52626755  -100829.56245849
  entropy T*S    EENTRO =        -0.00344764
  eigenvalues    EBANDS =       -35.16008702
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90493155 eV

  energy without entropy =      -13.90148390  energy(sigma->0) =      -13.90378233
  exchange ACFDT corr.  =        -0.00346452  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7224: real time      0.7284
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    592.6409: real time    597.7410
    CORREC:  cpu time      0.0038: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    594.8684: real time    599.9821

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2600202E-03  (-0.2697410E-02)
 number of electron      15.0000000 magnetization      -0.0000001
 augmentation part       -0.0014069 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.16384912
  -exchange      EXHF   =        33.16656801
  -V(xc)+E(xc)   XCENC  =       -83.58136670
  PAW double counting   =    100933.95770617  -100832.99389407
  entropy T*S    EENTRO =        -0.00346092
  eigenvalues    EBANDS =       -34.80562116
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90467153 eV

  energy without entropy =      -13.90121061  energy(sigma->0) =      -13.90351789
  exchange ACFDT corr.  =        -0.00355700  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7288
    SETDIJ:  cpu time      1.2315: real time      1.2369
    TRIAL :  cpu time    591.6519: real time    596.7662
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    593.8795: real time    599.0080

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1023381E-02  ( 0.1910296E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014077 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.25785889
  -exchange      EXHF   =        33.16682749
  -V(xc)+E(xc)   XCENC  =       -83.58126278
  PAW double counting   =    100934.61715127  -100833.65335333
  entropy T*S    EENTRO =        -0.00344156
  eigenvalues    EBANDS =       -34.71297073
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90569491 eV

  energy without entropy =      -13.90225335  energy(sigma->0) =      -13.90454772
  exchange ACFDT corr.  =        -0.00351770  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7226: real time      0.7288
    SETDIJ:  cpu time      1.2306: real time      1.2364
    TRIAL :  cpu time    590.5813: real time    595.6750
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    592.8088: real time    597.9167

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.5995260E-04  (-0.5808566E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014080 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.09719075
  -exchange      EXHF   =        33.16646273
  -V(xc)+E(xc)   XCENC  =       -83.58139712
  PAW double counting   =    100932.62025201  -100831.65646688
  entropy T*S    EENTRO =        -0.00343015
  eigenvalues    EBANDS =       -34.87308637
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90563495 eV

  energy without entropy =      -13.90220481  energy(sigma->0) =      -13.90449157
  exchange ACFDT corr.  =        -0.00349877  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7231: real time      0.7292
    SETDIJ:  cpu time      1.2300: real time      1.2358
    TRIAL :  cpu time    595.1695: real time    600.3363
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2691: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    597.3961: real time    602.5771

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.3757334E-05  (-0.3397036E-03)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014077 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.00881176
  -exchange      EXHF   =        33.16626235
  -V(xc)+E(xc)   XCENC  =       -83.58147188
  PAW double counting   =    100931.78201131  -100830.81819509
  entropy T*S    EENTRO =        -0.00343846
  eigenvalues    EBANDS =       -34.96122896
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90563120 eV

  energy without entropy =      -13.90219274  energy(sigma->0) =      -13.90448505
  exchange ACFDT corr.  =        -0.00348780  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7227: real time      0.7288
    SETDIJ:  cpu time      1.2299: real time      1.2358
    TRIAL :  cpu time    593.7555: real time    598.8814
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2692: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    595.9818: real time    601.1220

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1474473E-03  ( 0.8485136E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014072 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.07344296
  -exchange      EXHF   =        33.16642668
  -V(xc)+E(xc)   XCENC  =       -83.58140551
  PAW double counting   =    100933.37938469  -100832.41558813
  entropy T*S    EENTRO =        -0.00344605
  eigenvalues    EBANDS =       -34.89694794
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577864 eV

  energy without entropy =      -13.90233260  energy(sigma->0) =      -13.90462996
  exchange ACFDT corr.  =        -0.00355450  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7282
    SETDIJ:  cpu time      1.2307: real time      1.2364
    TRIAL :  cpu time    596.3338: real time    601.4884
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2699: real time      0.2720
    --------------------------------------------
      LOOP:  cpu time    598.5615: real time    603.7301

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2278500E-04  (-0.9637428E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014066 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.13558400
  -exchange      EXHF   =        33.16657333
  -V(xc)+E(xc)   XCENC  =       -83.58134752
  PAW double counting   =    100935.09617103  -100834.13237009
  entropy T*S    EENTRO =        -0.00344357
  eigenvalues    EBANDS =       -34.83498555
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90575586 eV

  energy without entropy =      -13.90231229  energy(sigma->0) =      -13.90460800
  exchange ACFDT corr.  =        -0.00350330  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7282
    SETDIJ:  cpu time      1.2314: real time      1.2367
    TRIAL :  cpu time    595.1960: real time    600.2964
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2694: real time      0.2716
    --------------------------------------------
      LOOP:  cpu time    597.4243: real time    602.5381

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8585514E-05  (-0.3994480E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014062 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.11745343
  -exchange      EXHF   =        33.16652023
  -V(xc)+E(xc)   XCENC  =       -83.58136759
  PAW double counting   =    100935.81609694  -100834.85227923
  entropy T*S    EENTRO =        -0.00343917
  eigenvalues    EBANDS =       -34.85307078
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576445 eV

  energy without entropy =      -13.90232528  energy(sigma->0) =      -13.90461806
  exchange ACFDT corr.  =        -0.00350077  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7287
    SETDIJ:  cpu time      1.2312: real time      1.2365
    TRIAL :  cpu time    594.1773: real time    599.3008
    CORREC:  cpu time      0.0039: real time      0.0040
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time    596.4047: real time    601.5422

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1871753E-04  ( 0.6293207E-06)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014057 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.08104726
  -exchange      EXHF   =        33.16642321
  -V(xc)+E(xc)   XCENC  =       -83.58140424
  PAW double counting   =    100936.21255241  -100835.24872039
  entropy T*S    EENTRO =        -0.00343900
  eigenvalues    EBANDS =       -34.88938071
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578316 eV

  energy without entropy =      -13.90234417  energy(sigma->0) =      -13.90463683
  exchange ACFDT corr.  =        -0.00349646  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2307: real time      1.2361
    TRIAL :  cpu time    591.4722: real time    596.5510
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2701: real time      0.2723
    --------------------------------------------
      LOOP:  cpu time    593.7006: real time    598.7931

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4214948E-05  (-0.1554442E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014053 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.08030428
  -exchange      EXHF   =        33.16641669
  -V(xc)+E(xc)   XCENC  =       -83.58140681
  PAW double counting   =    100936.99468571  -100836.03085155
  entropy T*S    EENTRO =        -0.00344101
  eigenvalues    EBANDS =       -34.89011268
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577895 eV

  energy without entropy =      -13.90233794  energy(sigma->0) =      -13.90463195
  exchange ACFDT corr.  =        -0.00349635  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     89(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7281
    SETDIJ:  cpu time      1.2304: real time      1.2358
    TRIAL :  cpu time    591.2219: real time    596.3416
    CORREC:  cpu time      0.0037: real time      0.0037
    EDDIAG:  cpu time    594.2126: real time    599.2360
    CHARGE:  cpu time      0.2692: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time   1187.6605: real time   1197.8178

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2370070E-05  (-0.4254854E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014049 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.93784874
  -Hartree energ DENC   =      -684.09853128
  -exchange      EXHF   =        33.16646970
  -V(xc)+E(xc)   XCENC  =       -83.58139151
  PAW double counting   =    100937.96255737  -100836.99872335
  entropy T*S    EENTRO =        -0.00344156
  eigenvalues    EBANDS =       -34.87194244
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578132 eV

  energy without entropy =      -13.90233976  energy(sigma->0) =      -13.90463413
  exchange ACFDT corr.  =        -0.00349831  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   0.9849


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.9023       2 -69.7939       3 -69.7923       4 -69.7796       5 -69.8827
 
 
 
 E-fermi :   3.1687     XC(G=0):  -5.1334     alpha+bet : -8.9779

 Fermi energy:         3.1687101459

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8293      1.00000
      2      -9.9265      1.00000
      3      -8.5868      1.00000
      4      -6.7678      1.00000
      5      -4.3849      1.00000
      6      -1.6081      1.00000
      7       1.5343      1.00000
      8       4.5562     -0.00000
      9       5.3898     -0.00000
     10       7.9139     -0.00000
     11       7.9427     -0.00000
     12      11.8752      0.00000
     13      12.1504      0.00000
     14      16.1209      0.00000
     15      16.1233      0.00000
     16      16.1279      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7558      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7559      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7566      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5590      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5590      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5591      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1927     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7863      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1926     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7863      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1927     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7862      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6132      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6132      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6133      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0144      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0261      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0369      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8137      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8152      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8150      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8166      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8213      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8237      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6414      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6415      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6415      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2026     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2026     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7999      1.00000
      2      -0.7970      1.00000
      3      -0.7658      1.00000
      4       0.0434      1.00000
      5       0.1271      1.00000
      6       0.1316      1.00000
      7       1.1344      1.00000
      8       1.1406      1.00000
      9       1.8215      1.00000
     10       2.6861      1.00169
     11       4.0839     -0.00000
     12       4.0906     -0.00000
     13       5.9451     -0.00000
     14       5.9464     -0.00000
     15       6.0099     -0.00000
     16       8.0077     -0.00000
 Fermi energy:         3.1687101459

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8293      1.00000
      2      -9.9265      1.00000
      3      -8.5868      1.00000
      4      -6.7678      1.00000
      5      -4.3849      1.00000
      6      -1.6081      1.00000
      7       1.5343      1.00000
      8       4.5562     -0.00000
      9       5.3898     -0.00000
     10       7.9139     -0.00000
     11       7.9427     -0.00000
     12      11.8752      0.00000
     13      12.1504      0.00000
     14      16.1209      0.00000
     15      16.1228      0.00000
     16      16.1279      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6206      1.00000
      2      -9.7173      1.00000
      3      -8.3765      1.00000
      4      -6.5558      1.00000
      5      -4.1689      1.00000
      6      -1.3979      1.00000
      7       1.7481      1.00000
      8       4.7394     -0.00000
      9       5.5642     -0.00000
     10       8.0822     -0.00000
     11       8.1084     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1740      0.00000
     15      13.9083      0.00000
     16      14.3848      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7561      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7559      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9946      1.00000
      2      -9.0893      1.00000
      3      -7.7453      1.00000
      4      -5.9196      1.00000
      5      -3.5216      1.00000
      6      -0.7679      1.00000
      7       2.3768      1.00000
      8       5.2739     -0.00000
      9       6.0827     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7714      0.00000
     13      10.3342      0.00000
     14      11.4079      0.00000
     15      12.4798      0.00000
     16      12.7558      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5590      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5591      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9506      1.00000
      2      -8.0417      1.00000
      3      -6.6921      1.00000
      4      -4.8593      1.00000
      5      -2.4485      1.00000
      6       0.2721      1.00000
      7       3.3468     -0.00963
      8       5.6643     -0.00000
      9       6.5278     -0.00000
     10       6.9138     -0.00000
     11       7.0342     -0.00000
     12       8.0982     -0.00000
     13       9.3874      0.00000
     14       9.5586      0.00000
     15       9.7863      0.00000
     16      11.5591      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1927     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7862      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1926     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7862      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4864      1.00000
      2      -6.5719      1.00000
      3      -5.2153      1.00000
      4      -3.3782      1.00000
      5      -0.9787      1.00000
      6       1.5788      1.00000
      7       2.6048      1.00024
      8       3.5848     -0.00613
      9       4.8270     -0.00000
     10       5.0762     -0.00000
     11       6.5212     -0.00000
     12       7.5877     -0.00000
     13       8.1927     -0.00000
     14       8.6718      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5979      1.00000
      2      -4.6774      1.00000
      3      -3.3198      1.00000
      4      -1.5200      1.00000
      5      -0.5992      1.00000
      6       0.1660      1.00000
      7       1.1103      1.00000
      8       2.0352      1.00000
      9       3.6463     -0.00189
     10       3.7307     -0.00026
     11       5.8925     -0.00000
     12       6.6431     -0.00000
     13       8.2179     -0.00000
     14       9.1428      0.00000
     15       9.7341      0.00000
     16      10.4653      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2953      1.00000
      2      -3.2766      1.00000
      3      -2.3751      1.00000
      4      -2.3690      1.00000
      5      -1.2513      1.00000
      6      -0.8669      1.00000
      7       0.6414      1.00000
      8       1.3743      1.00000
      9       3.3468     -0.00961
     10       3.4767     -0.02588
     11       5.6678     -0.00000
     12       6.0014     -0.00000
     13       8.3421     -0.00000
     14       8.8163      0.00000
     15      10.2977      0.00000
     16      10.5250      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6133      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6131      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2033      1.00000
      2      -9.2987      1.00000
      3      -7.9557      1.00000
      4      -6.1317      1.00000
      5      -3.7372      1.00000
      6      -0.9777      1.00000
      7       2.1698      1.00000
      8       5.0999     -0.00000
      9       5.9112     -0.00000
     10       8.4089     -0.00000
     11       8.4198     -0.00000
     12      11.4866      0.00000
     13      11.5024      0.00000
     14      11.9266      0.00000
     15      12.0612      0.00000
     16      12.6135      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3684      1.00000
      2      -8.4610      1.00000
      3      -7.1136      1.00000
      4      -5.2834      1.00000
      5      -2.8766      1.00000
      6      -0.1410      1.00000
      7       2.9812      1.01743
      8       5.7617     -0.00000
      9       6.5821     -0.00000
     10       7.9115     -0.00000
     11       8.6358      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8660      0.00000
     15      10.2246      0.00000
     16      10.7775      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1145      1.00000
      2      -7.2024      1.00000
      3      -5.8486      1.00000
      4      -4.0118      1.00000
      5      -1.5995      1.00000
      6       1.0810      1.00000
      7       3.8085     -0.00003
      8       4.7006     -0.00000
      9       5.4486     -0.00000
     10       6.5371     -0.00000
     11       7.0373     -0.00000
     12       7.6771     -0.00000
     13       8.1840     -0.00000
     14       8.9502      0.00000
     15       9.6421      0.00000
     16       9.9923      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4385      1.00000
      2      -5.5202      1.00000
      3      -4.1608      1.00000
      4      -2.3299      1.00000
      5      -0.0166      1.00000
      6       1.0670      1.00000
      7       2.0316      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01033
     10       5.1939     -0.00000
     11       5.8426     -0.00000
     12       7.3001     -0.00000
     13       7.9971     -0.00000
     14       8.6276     -0.00000
     15       9.0845      0.00000
     16       9.1602      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3370      1.00000
      2      -3.4164      1.00000
      3      -2.0752      1.00000
      4      -1.8229      1.00000
      5      -0.9758      1.00000
      6      -0.3458      1.00000
      7       0.6672      1.00000
      8       2.2705      1.00000
      9       2.6393      1.00058
     10       4.7057     -0.00000
     11       4.8826     -0.00000
     12       7.0279     -0.00000
     13       7.4791     -0.00000
     14       8.0259     -0.00000
     15       8.8747      0.00000
     16       9.6744      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0141      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0197      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3238      1.00000
      2      -7.4125      1.00000
      3      -6.0596      1.00000
      4      -4.2235      1.00000
      5      -1.8098      1.00000
      6       0.8880      1.00000
      7       3.8960     -0.00000
      8       6.0410     -0.00000
      9       6.5507     -0.00000
     10       7.2647     -0.00000
     11       7.3254     -0.00000
     12       7.5449     -0.00000
     13       7.5858     -0.00000
     14       8.4131     -0.00000
     15       8.7703      0.00000
     16      10.0159      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8587      1.00000
      2      -5.9417      1.00000
      3      -4.5828      1.00000
      4      -2.7457      1.00000
      5      -0.3573      1.00000
      6       2.1655      1.00000
      7       3.1947      0.39282
      8       4.1599     -0.00000
      9       5.1062     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0231     -0.00000
     14       7.7661     -0.00000
     15       8.3658     -0.00000
     16       8.7373      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8123      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8132      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8153      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8157      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8180      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9694      1.00000
      2      -4.0478      1.00000
      3      -2.6911      1.00000
      4      -0.9011      1.00000
      5       0.0173      1.00000
      6       0.7679      1.00000
      7       1.7028      1.00000
      8       2.6095      1.00028
      9       4.0829     -0.00000
     10       4.2640     -0.00000
     11       4.9189     -0.00000
     12       5.7679     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4682     -0.00000
     16       8.8190      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6692      1.00000
      2      -2.6502      1.00000
      3      -1.7563      1.00000
      4      -1.7407      1.00000
      5      -0.6368      1.00000
      6      -0.2536      1.00000
      7       1.2425      1.00000
      8       1.9681      1.00000
      9       3.7539     -0.00014
     10       3.8789     -0.00000
     11       4.7626     -0.00000
     12       5.7916     -0.00000
     13       6.3901     -0.00000
     14       6.7470     -0.00000
     15       7.1517     -0.00000
     16       8.6701      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6414      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6414      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1804      1.00000
      2      -4.2588      1.00000
      3      -2.8994      1.00000
      4      -1.0853      1.00000
      5       1.1252      1.00000
      6       2.1658      1.00000
      7       2.3323      1.00000
      8       3.0482      0.92165
      9       3.4999     -0.02053
     10       4.2541     -0.00000
     11       4.4981     -0.00000
     12       4.8813     -0.00000
     13       6.2107     -0.00000
     14       6.8423     -0.00000
     15       7.1818     -0.00000
     16       8.6414      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -2.1627      1.00000
      3      -0.8370      1.00000
      4      -0.5775      1.00000
      5       0.2480      1.00000
      6       0.8388      1.00000
      7       1.8111      1.00000
      8       1.8706      1.00000
      9       2.6093      1.00028
     10       3.1912      0.40603
     11       4.1130     -0.00000
     12       4.6692     -0.00000
     13       6.0338     -0.00000
     14       6.1390     -0.00000
     15       6.3349     -0.00000
     16       8.2027     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7999      1.00000
      2      -0.7970      1.00000
      3      -0.7658      1.00000
      4       0.0434      1.00000
      5       0.1271      1.00000
      6       0.1316      1.00000
      7       1.1344      1.00000
      8       1.1406      1.00000
      9       1.8215      1.00000
     10       2.6861      1.00169
     11       4.0839     -0.00000
     12       4.0906     -0.00000
     13       5.9451     -0.00000
     14       5.9464     -0.00000
     15       6.0099     -0.00000
     16       8.0078     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.066  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.497   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.466  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.466
  0.000   0.000   5.466  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.466   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.956 -61.931   0.000  -0.153   0.000  -0.000  -0.010  -0.000
-61.931  33.077  -0.000   0.073  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062  -0.000  -0.000  -0.320   0.000   0.000
 -0.153   0.073  -0.000   1.694   0.000   0.000  -0.259  -0.000
  0.000  -0.000  -0.000   0.000   2.062   0.000  -0.000  -0.320
 -0.000   0.000  -0.320   0.000   0.000   0.050  -0.000  -0.000
 -0.010   0.007   0.000  -0.259  -0.000  -0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.9267: real time    427.0107
    FORNL :  cpu time      0.4976: real time      0.5035
    FORCOR:  cpu time      1.9518: real time      1.9637
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.219E-05 0.424E-06 0.180E+03   0.423E-13 0.251E-13 -.179E+03   -.265E-05 -.507E-06 -.104E+01
   0.152E-06 -.833E-06 0.910E+02   -.109E-14 0.514E-14 -.909E+02   -.785E-07 0.101E-05 -.671E-01
   0.545E-06 -.878E-07 -.868E-01   -.134E-12 -.771E-13 0.836E-01   -.355E-06 0.214E-06 0.648E-02
   -.843E-06 -.467E-06 -.910E+02   0.126E-12 0.724E-13 0.910E+02   0.862E-06 0.605E-06 0.803E-01
   0.142E-05 0.175E-05 -.179E+03   -.426E-13 -.224E-13 0.179E+03   -.129E-05 -.187E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.331E-05 0.627E-06 0.823E-03   -.971E-14 0.313E-14 0.000E+00   -.350E-05 -.554E-06 -.140E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.010780
      0.00000      0.00000      2.38032        -0.000000     -0.000000      0.005032
      1.42873      0.82488      4.71799        -0.000001     -0.000000      0.003171
      2.85746      1.64976      7.05706         0.000001      0.000000      0.001334
      0.00000      0.00000      9.44186         0.000000     -0.000000      0.001244
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.000000     -0.000698


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90578132 eV

  energy  without entropy=      -13.90233976  energy(sigma->0) =      -13.90463413
 
 d Force = 0.5099797E-05[ 0.451E-05, 0.569E-05]  d Energy = 0.4596222E-05 0.504E-06
 d Force = 0.1023528E+00[ 0.102E+00, 0.102E+00]  d Ewald  = 0.1023528E+00-0.149E-10


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9552: real time      1.9674


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.187E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2455
 eigenvalue spectrum of G is  0.2455


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0061: real time      0.0756
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0841: real time      0.0846
    POTLOK:  cpu time      1.9526: real time      1.9650
    EDDIAG:  cpu time    596.0928: real time    601.1156
    CHARGE:  cpu time      0.2689: real time      0.2711
 writing wavefunctions
     LOOP+:  cpu time   8172.6734: real time   8242.5474


--------------------------------------- Iteration     90(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7230: real time      0.7291
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    593.8092: real time    598.9641
    CORREC:  cpu time      0.0037: real time      0.0037
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    596.0464: real time    601.2159

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.1221713E-04  (-0.5118112E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014060 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.88789977
  -Hartree energ DENC   =      -683.93922656
  -exchange      EXHF   =        33.16587823
  -V(xc)+E(xc)   XCENC  =       -83.58160432
  PAW double counting   =    100936.55410449  -100835.59027208
  entropy T*S    EENTRO =        -0.00344892
  eigenvalues    EBANDS =       -34.98049972
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576673 eV

  energy without entropy =      -13.90231781  energy(sigma->0) =      -13.90461709
  exchange ACFDT corr.  =        -0.00348281  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     90(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7218: real time      0.7278
    SETDIJ:  cpu time      1.2295: real time      1.2353
    TRIAL :  cpu time    594.0668: real time    599.2060
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    596.2924: real time    601.4458

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8454008E-05  (-0.1889636E-04)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014062 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.88789977
  -Hartree energ DENC   =      -684.07786682
  -exchange      EXHF   =        33.16618192
  -V(xc)+E(xc)   XCENC  =       -83.58148740
  PAW double counting   =    100938.21973230  -100837.25590398
  entropy T*S    EENTRO =        -0.00345434
  eigenvalues    EBANDS =       -34.84226630
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577518 eV

  energy without entropy =      -13.90232084  energy(sigma->0) =      -13.90462374
  exchange ACFDT corr.  =        -0.00355607  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     90(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2301: real time      1.2358
    TRIAL :  cpu time    591.6506: real time    596.7956
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    591.7635: real time    596.7923
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time   1185.6408: real time   1195.8287

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.5844850E-05  (-0.7371579E-05)
 number of electron      15.0000000 magnetization      -0.0000000
 augmentation part       -0.0014064 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.88789977
  -Hartree energ DENC   =      -684.11069286
  -exchange      EXHF   =        33.16608289
  -V(xc)+E(xc)   XCENC  =       -83.58146099
  PAW double counting   =    100938.74647553  -100837.78264905
  entropy T*S    EENTRO =        -0.00344706
  eigenvalues    EBANDS =       -34.80952856
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578103 eV

  energy without entropy =      -13.90233397  energy(sigma->0) =      -13.90463201
  exchange ACFDT corr.  =        -0.00350467  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.0146


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8908       2 -69.7755       3 -69.7790       4 -69.7838       5 -69.9013
 
 
 
 E-fermi :   3.1689     XC(G=0):  -5.1334     alpha+bet : -8.9779

 Fermi energy:         3.1688921995

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8206      1.00000
      2      -9.9231      1.00000
      3      -8.5840      1.00000
      4      -6.7652      1.00000
      5      -4.3824      1.00000
      6      -1.6057      1.00000
      7       1.5360      1.00000
      8       4.5557     -0.00000
      9       5.3847     -0.00000
     10       7.9112     -0.00000
     11       7.9410     -0.00000
     12      11.8737      0.00000
     13      12.1494      0.00000
     14      16.1304      0.00000
     15      16.1325      0.00000
     16      16.1360      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7570      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7571      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7578      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5620      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5620      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5621      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7849      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7849      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7848      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00941
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00940
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00940
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6137      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6137      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6137      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0137      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0248      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0355      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8175      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8186      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8187      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8201      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8251      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8275      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40632
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40632
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7896      1.00000
      2      -0.7893      1.00000
      3      -0.7573      1.00000
      4       0.0482      1.00000
      5       0.1320      1.00000
      6       0.1325      1.00000
      7       1.1414      1.00000
      8       1.1416      1.00000
      9       1.8225      1.00000
     10       2.6873      1.00168
     11       4.0873     -0.00000
     12       4.0921     -0.00000
     13       5.9455     -0.00000
     14       5.9490     -0.00000
     15       6.0148     -0.00000
     16       8.0090     -0.00000
 Fermi energy:         3.1688921995

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8206      1.00000
      2      -9.9231      1.00000
      3      -8.5840      1.00000
      4      -6.7652      1.00000
      5      -4.3824      1.00000
      6      -1.6057      1.00000
      7       1.5360      1.00000
      8       4.5557     -0.00000
      9       5.3847     -0.00000
     10       7.9112     -0.00000
     11       7.9410     -0.00000
     12      11.8737      0.00000
     13      12.1494      0.00000
     14      16.1304      0.00000
     15      16.1317      0.00000
     16      16.1360      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6120      1.00000
      2      -9.7139      1.00000
      3      -8.3737      1.00000
      4      -6.5532      1.00000
      5      -4.1663      1.00000
      6      -1.3955      1.00000
      7       1.7497      1.00000
      8       4.7390     -0.00000
      9       5.5592     -0.00000
     10       8.0795     -0.00000
     11       8.1068     -0.00000
     12      12.0082      0.00000
     13      12.2500      0.00000
     14      13.1826      0.00000
     15      13.9118      0.00000
     16      14.3936      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7572      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7570      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9859      1.00000
      2      -9.0859      1.00000
      3      -7.7425      1.00000
      4      -5.9171      1.00000
      5      -3.5191      1.00000
      6      -0.7655      1.00000
      7       2.3785      1.00000
      8       5.2735     -0.00000
      9       6.0777     -0.00000
     10       8.4670     -0.00000
     11       8.5974     -0.00000
     12       9.7793      0.00000
     13      10.3372      0.00000
     14      11.4104      0.00000
     15      12.4791      0.00000
     16      12.7570      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5620      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5621      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9419      1.00000
      2      -8.0382      1.00000
      3      -6.6892      1.00000
      4      -4.8567      1.00000
      5      -2.4459      1.00000
      6       0.2745      1.00000
      7       3.3487     -0.00940
      8       5.6685     -0.00000
      9       6.5293     -0.00000
     10       6.9178     -0.00000
     11       7.0305     -0.00000
     12       8.1008     -0.00000
     13       9.3859      0.00000
     14       9.5586      0.00000
     15       9.7870      0.00000
     16      11.5620      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7848      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7848      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4776      1.00000
      2      -6.5684      1.00000
      3      -5.2125      1.00000
      4      -3.3756      1.00000
      5      -0.9760      1.00000
      6       1.5822      1.00000
      7       2.6119      1.00025
      8       3.5879     -0.00610
      9       4.8286     -0.00000
     10       5.0797     -0.00000
     11       6.5237     -0.00000
     12       7.5874     -0.00000
     13       8.1878     -0.00000
     14       8.6744      0.00000
     15      10.4956      0.00000
     16      10.7847      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5892      1.00000
      2      -4.6739      1.00000
      3      -3.3169      1.00000
      4      -1.5172      1.00000
      5      -0.5903      1.00000
      6       0.1694      1.00000
      7       1.1123      1.00000
      8       2.0377      1.00000
      9       3.6481     -0.00190
     10       3.7343     -0.00026
     11       5.8949     -0.00000
     12       6.6449     -0.00000
     13       8.2203     -0.00000
     14       9.1426      0.00000
     15       9.7293      0.00000
     16      10.4741      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00941
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00940
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2864      1.00000
      2      -3.2679      1.00000
      3      -2.3720      1.00000
      4      -2.3649      1.00000
      5      -1.2476      1.00000
      6      -0.8646      1.00000
      7       0.6434      1.00000
      8       1.3769      1.00000
      9       3.3482     -0.00941
     10       3.4807     -0.02592
     11       5.6697     -0.00000
     12       6.0041     -0.00000
     13       8.3437     -0.00000
     14       8.8181      0.00000
     15      10.3065      0.00000
     16      10.5269      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6137      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6136      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.1946      1.00000
      2      -9.2953      1.00000
      3      -7.9529      1.00000
      4      -6.1292      1.00000
      5      -3.7347      1.00000
      6      -0.9752      1.00000
      7       2.1715      1.00000
      8       5.0995     -0.00000
      9       5.9062     -0.00000
     10       8.4064     -0.00000
     11       8.4183     -0.00000
     12      11.4954      0.00000
     13      11.5101      0.00000
     14      11.9289      0.00000
     15      12.0631      0.00000
     16      12.6141      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3597      1.00000
      2      -8.4575      1.00000
      3      -7.1108      1.00000
      4      -5.2808      1.00000
      5      -2.8740      1.00000
      6      -0.1386      1.00000
      7       2.9829      1.01763
      8       5.7615     -0.00000
      9       6.5774     -0.00000
     10       7.9177     -0.00000
     11       8.6397      0.00000
     12       8.9914      0.00000
     13       9.4096      0.00000
     14       9.8686      0.00000
     15      10.2319      0.00000
     16      10.7809      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1058      1.00000
      2      -7.1989      1.00000
      3      -5.8457      1.00000
      4      -4.0092      1.00000
      5      -1.5970      1.00000
      6       1.0836      1.00000
      7       3.8129     -0.00003
      8       4.7053     -0.00000
      9       5.4522     -0.00000
     10       6.5405     -0.00000
     11       7.0371     -0.00000
     12       7.6724     -0.00000
     13       8.1866     -0.00000
     14       8.9568      0.00000
     15       9.6459      0.00000
     16       9.9939      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4298      1.00000
      2      -5.5167      1.00000
      3      -4.1579      1.00000
      4      -2.3272      1.00000
      5      -0.0134      1.00000
      6       1.0751      1.00000
      7       2.0347      1.00000
      8       2.9925      1.00990
      9       3.5559     -0.01031
     10       5.1968     -0.00000
     11       5.8445     -0.00000
     12       7.3034     -0.00000
     13       8.0009     -0.00000
     14       8.6298     -0.00000
     15       9.0806      0.00000
     16       9.1636      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3283      1.00000
      2      -3.4128      1.00000
      3      -2.0722      1.00000
      4      -1.8142      1.00000
      5      -0.9719      1.00000
      6      -0.3432      1.00000
      7       0.6694      1.00000
      8       2.2719      1.00000
      9       2.6430      1.00058
     10       4.7086     -0.00000
     11       4.8849     -0.00000
     12       7.0313     -0.00000
     13       7.4825     -0.00000
     14       8.0300     -0.00000
     15       8.8783      0.00000
     16       9.6757      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0135      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0187      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3151      1.00000
      2      -7.4090      1.00000
      3      -6.0568      1.00000
      4      -4.2208      1.00000
      5      -1.8072      1.00000
      6       0.8905      1.00000
      7       3.8980     -0.00000
      8       6.0456     -0.00000
      9       6.5567     -0.00000
     10       7.2679     -0.00000
     11       7.3305     -0.00000
     12       7.5473     -0.00000
     13       7.5823     -0.00000
     14       8.4155     -0.00000
     15       8.7734      0.00000
     16      10.0153      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39236
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8499      1.00000
      2      -5.9382      1.00000
      3      -4.5800      1.00000
      4      -2.7431      1.00000
      5      -0.3546      1.00000
      6       2.1691      1.00000
      7       3.2018      0.39235
      8       4.1630     -0.00000
      9       5.1116     -0.00000
     10       5.3979     -0.00000
     11       5.9277     -0.00000
     12       6.5100     -0.00000
     13       7.0261     -0.00000
     14       7.7686     -0.00000
     15       8.3657     -0.00000
     16       8.7328      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8160      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8170      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8186      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8189      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8213      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9607      1.00000
      2      -4.0442      1.00000
      3      -2.6882      1.00000
      4      -0.8983      1.00000
      5       0.0262      1.00000
      6       0.7714      1.00000
      7       1.7049      1.00000
      8       2.6122      1.00028
      9       4.0849     -0.00000
     10       4.2685     -0.00000
     11       4.9261     -0.00000
     12       5.7708     -0.00000
     13       6.6179     -0.00000
     14       7.4012     -0.00000
     15       7.4719     -0.00000
     16       8.8227      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6603      1.00000
      2      -2.6415      1.00000
      3      -1.7521      1.00000
      4      -1.7377      1.00000
      5      -0.6332      1.00000
      6      -0.2512      1.00000
      7       1.2446      1.00000
      8       1.9706      1.00000
      9       3.7557     -0.00014
     10       3.8844     -0.00000
     11       4.7693     -0.00000
     12       5.7938     -0.00000
     13       6.3911     -0.00000
     14       6.7499     -0.00000
     15       7.1551     -0.00000
     16       8.6731      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1717      1.00000
      2      -4.2553      1.00000
      3      -2.8965      1.00000
      4      -1.0826      1.00000
      5       1.1287      1.00000
      6       2.1746      1.00000
      7       2.3398      1.00000
      8       3.0521      0.92112
      9       3.5017     -0.02046
     10       4.2562     -0.00000
     11       4.5020     -0.00000
     12       4.8839     -0.00000
     13       6.2126     -0.00000
     14       6.8451     -0.00000
     15       7.1837     -0.00000
     16       8.6426      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0714      1.00000
      2      -2.1591      1.00000
      3      -0.8338      1.00000
      4      -0.5689      1.00000
      5       0.2519      1.00000
      6       0.8415      1.00000
      7       1.8168      1.00000
      8       1.8764      1.00000
      9       2.6122      1.00028
     10       3.1931      0.40633
     11       4.1161     -0.00000
     12       4.6711     -0.00000
     13       6.0348     -0.00000
     14       6.1422     -0.00000
     15       6.3383     -0.00000
     16       8.2048     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7896      1.00000
      2      -0.7893      1.00000
      3      -0.7573      1.00000
      4       0.0482      1.00000
      5       0.1320      1.00000
      6       0.1325      1.00000
      7       1.1414      1.00000
      8       1.1416      1.00000
      9       1.8225      1.00000
     10       2.6873      1.00168
     11       4.0873     -0.00000
     12       4.0921     -0.00000
     13       5.9455     -0.00000
     14       5.9490     -0.00000
     15       6.0148     -0.00000
     16       8.0092     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.768   0.000  -0.002  -0.000   0.000  -0.006  -0.000
 13.768  23.496   0.000  -0.003  -0.000   0.000  -0.010  -0.000
  0.000   0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
 -0.000  -0.000   0.000  -0.000   1.879   0.000  -0.000   5.465
  0.000   0.000   5.465  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
 -0.000  -0.000   0.000  -0.000   5.465   0.000  -0.000  15.758
 pseudopotential strength for first ion, spin component:           2
  8.065  13.768   0.000  -0.002   0.000   0.000  -0.006   0.000
 13.768  23.496   0.000  -0.003   0.000   0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.465
  0.000   0.000   5.465  -0.000   0.000  15.758  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.465   0.000  -0.000  15.758
 total augmentation occupancy for first ion, spin component:           1
115.956 -61.931   0.000  -0.154   0.000  -0.000  -0.010  -0.000
-61.931  33.077  -0.000   0.074  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.062   0.000  -0.000  -0.320  -0.000   0.000
 -0.154   0.074   0.000   1.694  -0.000  -0.000  -0.259   0.000
  0.000  -0.000  -0.000  -0.000   2.062   0.000   0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.259   0.000   0.000   0.040  -0.000
 -0.000   0.000   0.000   0.000  -0.320  -0.000  -0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    422.9609: real time    426.0170
    FORNL :  cpu time      0.4982: real time      0.5042
    FORCOR:  cpu time      1.9492: real time      1.9609
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.316E-05 0.668E-06 0.180E+03   0.389E-13 0.259E-13 -.179E+03   -.373E-05 -.746E-06 -.104E+01
   0.874E-06 -.856E-06 0.910E+02   -.614E-15 0.360E-14 -.909E+02   -.368E-06 0.776E-06 -.729E-01
   0.364E-06 -.615E-06 -.918E-01   -.134E-12 -.779E-13 0.815E-01   -.516E-06 0.487E-06 0.284E-02
   0.141E-06 0.746E-07 -.910E+02   0.129E-12 0.769E-13 0.910E+02   -.686E-07 -.355E-06 0.764E-01
   -.743E-06 0.189E-05 -.179E+03   -.435E-13 -.253E-13 0.179E+03   0.725E-06 -.185E-05 0.101E+01
 -----------------------------------------------------------------------------------------------
   0.418E-05 0.135E-05 -.784E-02   -.971E-14 0.313E-14 0.568E-13   -.396E-05 -.169E-05 -.183E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000        -0.000000      0.000000     -0.005056
      0.00000      0.00000      2.38058         0.000000     -0.000000     -0.000043
      1.42873      0.82488      4.71823        -0.000001     -0.000000     -0.002183
      2.85746      1.64976      7.05730         0.000001      0.000000      0.000105
      0.00000      0.00000      9.44215        -0.000001     -0.000000      0.007177
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000000     -0.027387


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90578103 eV

  energy  without entropy=      -13.90233397  energy(sigma->0) =      -13.90463201
 
 d Force = 0.2175205E-05[ 0.156E-05, 0.279E-05]  d Energy =-0.2883462E-06 0.246E-05
 d Force = 0.4994896E-01[ 0.499E-01, 0.500E-01]  d Ewald  = 0.4994896E-01-0.546E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9525: real time      1.9646


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.272E-05   g(Stress)= 0.000E+00

 retain information from N=  1 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   0.2804
 eigenvalue spectrum of G is  0.2804


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time      0.0060: real time      0.0796
    FEWALD:  cpu time      0.0003: real time      0.0003
    ORTHCH:  cpu time      0.0840: real time      0.0844
    POTLOK:  cpu time      1.9515: real time      1.9642
    EDDIAG:  cpu time    595.5938: real time    600.6594
    CHARGE:  cpu time      0.2687: real time      0.2713
 writing wavefunctions
     LOOP+:  cpu time   3404.1923: real time   3433.0603


--------------------------------------- Iteration     91(   1)  ---------------------------------------


    POTLOK:  cpu time      0.7234: real time      0.7295
    SETDIJ:  cpu time      1.2302: real time      1.2358
    TRIAL :  cpu time    588.9586: real time    594.0235
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2702: real time      0.2724
    --------------------------------------------
      LOOP:  cpu time    591.1967: real time    596.2765

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.6581813E-03  (-0.2915556E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0014063 magnetization       0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05851873
  -exchange      EXHF   =        33.16614581
  -V(xc)+E(xc)   XCENC  =       -83.58149955
  PAW double counting   =    100938.45981367  -100837.49596099
  entropy T*S    EENTRO =        -0.00344967
  eigenvalues    EBANDS =       -34.86879851
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90511700 eV

  energy without entropy =      -13.90166734  energy(sigma->0) =      -13.90396711
  exchange ACFDT corr.  =        -0.00349831  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   2)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2386: real time      1.2443
    TRIAL :  cpu time    590.7117: real time    595.8111
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2694: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    592.9466: real time    598.0601

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2701780E-03  (-0.2298113E-02)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0014061 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.06041860
  -exchange      EXHF   =        33.16614355
  -V(xc)+E(xc)   XCENC  =       -83.58149820
  PAW double counting   =    100938.99408841  -100838.03024109
  entropy T*S    EENTRO =        -0.00344941
  eigenvalues    EBANDS =       -34.86661995
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90484683 eV

  energy without entropy =      -13.90139742  energy(sigma->0) =      -13.90369702
  exchange ACFDT corr.  =        -0.00350062  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   3)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2333: real time      1.2386
    TRIAL :  cpu time    592.6744: real time    597.7760
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    594.9043: real time    600.0196

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8908293E-03  ( 0.6089831E-04)
 number of electron      15.0000000 magnetization       0.0000000
 augmentation part       -0.0014059 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05333316
  -exchange      EXHF   =        33.16611304
  -V(xc)+E(xc)   XCENC  =       -83.58151100
  PAW double counting   =    100939.36900534  -100838.40516391
  entropy T*S    EENTRO =        -0.00344999
  eigenvalues    EBANDS =       -34.87454726
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90573765 eV

  energy without entropy =      -13.90228766  energy(sigma->0) =      -13.90458766
  exchange ACFDT corr.  =        -0.00349897  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   4)  ---------------------------------------


    POTLOK:  cpu time      0.7242: real time      0.7303
    SETDIJ:  cpu time      1.2338: real time      1.2390
    TRIAL :  cpu time    594.3424: real time    599.4688
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2690: real time      0.2712
    --------------------------------------------
      LOOP:  cpu time    596.5745: real time    601.7145

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.8103822E-04  (-0.5092611E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014059 magnetization       0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05374013
  -exchange      EXHF   =        33.16610624
  -V(xc)+E(xc)   XCENC  =       -83.58151363
  PAW double counting   =    100939.82758340  -100838.86373706
  entropy T*S    EENTRO =        -0.00345124
  eigenvalues    EBANDS =       -34.87405415
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90565662 eV

  energy without entropy =      -13.90220537  energy(sigma->0) =      -13.90450620
  exchange ACFDT corr.  =        -0.00349926  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   5)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7285
    SETDIJ:  cpu time      1.2386: real time      1.2440
    TRIAL :  cpu time    590.0148: real time    595.0808
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2693: real time      0.2715
    --------------------------------------------
      LOOP:  cpu time    592.2498: real time    597.3294

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.7016148E-05  (-0.2738988E-03)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014058 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05618477
  -exchange      EXHF   =        33.16610953
  -V(xc)+E(xc)   XCENC  =       -83.58151166
  PAW double counting   =    100940.31482279  -100839.35098052
  entropy T*S    EENTRO =        -0.00345095
  eigenvalues    EBANDS =       -34.87161647
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90566363 eV

  energy without entropy =      -13.90221268  energy(sigma->0) =      -13.90451332
  exchange ACFDT corr.  =        -0.00350041  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   6)  ---------------------------------------


    POTLOK:  cpu time      0.7219: real time      0.7279
    SETDIJ:  cpu time      1.2379: real time      1.2433
    TRIAL :  cpu time    591.1105: real time    596.2092
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2695: real time      0.2718
    --------------------------------------------
      LOOP:  cpu time    593.3451: real time    598.4574

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1204394E-03  ( 0.9357356E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014057 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05434313
  -exchange      EXHF   =        33.16610397
  -V(xc)+E(xc)   XCENC  =       -83.58151408
  PAW double counting   =    100940.61695381  -100839.65310536
  entropy T*S    EENTRO =        -0.00345082
  eigenvalues    EBANDS =       -34.87357704
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578407 eV

  energy without entropy =      -13.90233325  energy(sigma->0) =      -13.90463380
  exchange ACFDT corr.  =        -0.00349989  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   7)  ---------------------------------------


    POTLOK:  cpu time      0.7223: real time      0.7283
    SETDIJ:  cpu time      1.2304: real time      1.2356
    TRIAL :  cpu time    589.4394: real time    594.5102
    CORREC:  cpu time      0.0039: real time      0.0039
    CHARGE:  cpu time      0.2697: real time      0.2719
    --------------------------------------------
      LOOP:  cpu time    591.6663: real time    596.7506

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.2187221E-04  (-0.8513372E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014056 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05377033
  -exchange      EXHF   =        33.16610314
  -V(xc)+E(xc)   XCENC  =       -83.58151504
  PAW double counting   =    100940.93528405  -100839.97143260
  entropy T*S    EENTRO =        -0.00345121
  eigenvalues    EBANDS =       -34.87412930
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90576220 eV

  energy without entropy =      -13.90231099  energy(sigma->0) =      -13.90461180
  exchange ACFDT corr.  =        -0.00349975  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   8)  ---------------------------------------


    POTLOK:  cpu time      0.7221: real time      0.7282
    SETDIJ:  cpu time      1.2389: real time      1.2442
    TRIAL :  cpu time    592.1644: real time    597.2712
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2695: real time      0.2717
    --------------------------------------------
      LOOP:  cpu time    594.3991: real time    599.5196

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.8838499E-05  (-0.2975614E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014054 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05488164
  -exchange      EXHF   =        33.16610682
  -V(xc)+E(xc)   XCENC  =       -83.58151261
  PAW double counting   =    100941.28878859  -100840.32493839
  entropy T*S    EENTRO =        -0.00345117
  eigenvalues    EBANDS =       -34.87303130
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90577104 eV

  energy without entropy =      -13.90231986  energy(sigma->0) =      -13.90462065
  exchange ACFDT corr.  =        -0.00350018  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(   9)  ---------------------------------------


    POTLOK:  cpu time      0.7220: real time      0.7280
    SETDIJ:  cpu time      1.2346: real time      1.2400
    TRIAL :  cpu time    590.1478: real time    595.2442
    CORREC:  cpu time      0.0038: real time      0.0038
    CHARGE:  cpu time      0.2684: real time      0.2714
    --------------------------------------------
      LOOP:  cpu time    592.3772: real time    597.4879

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.1495909E-04  (-0.9858890E-07)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014053 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05493429
  -exchange      EXHF   =        33.16610727
  -V(xc)+E(xc)   XCENC  =       -83.58151291
  PAW double counting   =    100941.59176767  -100840.62791783
  entropy T*S    EENTRO =        -0.00345117
  eigenvalues    EBANDS =       -34.87299344
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578600 eV

  energy without entropy =      -13.90233482  energy(sigma->0) =      -13.90463561
  exchange ACFDT corr.  =        -0.00350010  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(  10)  ---------------------------------------


    POTLOK:  cpu time      0.7222: real time      0.7284
    SETDIJ:  cpu time      1.2366: real time      1.2420
    TRIAL :  cpu time    589.2860: real time    594.3952
    CORREC:  cpu time      0.0040: real time      0.0040
    CHARGE:  cpu time      0.2682: real time      0.2705
    --------------------------------------------
      LOOP:  cpu time    591.5175: real time    596.6407

 eigenvalue-minimisations  :     0
 total energy-change (2. order) : 0.4058500E-05  (-0.1345229E-04)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014051 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05478889
  -exchange      EXHF   =        33.16610662
  -V(xc)+E(xc)   XCENC  =       -83.58151358
  PAW double counting   =    100941.88497405  -100840.92111987
  entropy T*S    EENTRO =        -0.00345136
  eigenvalues    EBANDS =       -34.87313780
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578194 eV

  energy without entropy =      -13.90233058  energy(sigma->0) =      -13.90463149
  exchange ACFDT corr.  =        -0.00350006  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------




--------------------------------------- Iteration     91(  11)  ---------------------------------------


    POTLOK:  cpu time      0.7225: real time      0.7286
    SETDIJ:  cpu time      1.2309: real time      1.2363
    TRIAL :  cpu time    591.3680: real time    596.4487
    CORREC:  cpu time      0.0039: real time      0.0039
    EDDIAG:  cpu time    589.0777: real time    594.0261
    CHARGE:  cpu time      0.2691: real time      0.2713
    --------------------------------------------
      LOOP:  cpu time   1182.6736: real time   1192.7164

 eigenvalue-minimisations  :     0
 total energy-change (2. order) :-0.2380388E-05  (-0.2919959E-05)
 number of electron      15.0000000 magnetization       0.0000001
 augmentation part       -0.0014050 magnetization      -0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.61425433
  Ewald energy   TEWEN  =       385.89576446
  -Hartree energ DENC   =      -684.05487320
  -exchange      EXHF   =        33.16610490
  -V(xc)+E(xc)   XCENC  =       -83.58151317
  PAW double counting   =    100942.20645125  -100841.24260088
  entropy T*S    EENTRO =        -0.00345138
  eigenvalues    EBANDS =       -34.87305187
  atomic energy  EATOM  =       269.19563858
  ---------------------------------------------------
  free energy    TOTEN  =       -13.90578432 eV

  energy without entropy =      -13.90233294  energy(sigma->0) =      -13.90463386
  exchange ACFDT corr.  =        -0.00350022  see jH, gK, PRB 81, 115126


--------------------------------------------------------------------------------------------------------


  average scaling for gradient   1.1309


 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -69.8822       2 -69.7795       3 -69.7929       4 -69.7946       5 -69.9024
 
 
 
 E-fermi :   3.1688     XC(G=0):  -5.1335     alpha+bet : -8.9779

 Fermi energy:         3.1688053206

 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8295      1.00000
      2      -9.9263      1.00000
      3      -8.5867      1.00000
      4      -6.7681      1.00000
      5      -4.3851      1.00000
      6      -1.6083      1.00000
      7       1.5340      1.00000
      8       4.5558     -0.00000
      9       5.3900     -0.00000
     10       7.9140     -0.00000
     11       7.9426     -0.00000
     12      11.8752      0.00000
     13      12.1503      0.00000
     14      16.1208      0.00000
     15      16.1234      0.00000
     16      16.1278      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7557      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7557      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7563      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5588      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5588      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5589      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1661      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1662      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1661      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3739      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3739      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3739      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6131      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6131      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6131      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0139      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0253      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0361      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8133      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8143      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8144      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8162      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8206      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8232      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7989      1.00000
      2      -0.7984      1.00000
      3      -0.7660      1.00000
      4       0.0434      1.00000
      5       0.1293      1.00000
      6       0.1301      1.00000
      7       1.1364      1.00000
      8       1.1387      1.00000
      9       1.8217      1.00000
     10       2.6859      1.00168
     11       4.0827     -0.00000
     12       4.0911     -0.00000
     13       5.9434     -0.00000
     14       5.9477     -0.00000
     15       6.0096     -0.00000
     16       8.0073     -0.00000
 Fermi energy:         3.1688053206

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.8295      1.00000
      2      -9.9263      1.00000
      3      -8.5867      1.00000
      4      -6.7681      1.00000
      5      -4.3851      1.00000
      6      -1.6083      1.00000
      7       1.5340      1.00000
      8       4.5558     -0.00000
      9       5.3900     -0.00000
     10       7.9140     -0.00000
     11       7.9426     -0.00000
     12      11.8752      0.00000
     13      12.1503      0.00000
     14      16.1208      0.00000
     15      16.1223      0.00000
     16      16.1278      0.00000

 k-point     2 :       0.0833   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     3 :       0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     4 :       0.0000    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.6209      1.00000
      2      -9.7171      1.00000
      3      -8.3764      1.00000
      4      -6.5561      1.00000
      5      -4.1691      1.00000
      6      -1.3980      1.00000
      7       1.7478      1.00000
      8       4.7391     -0.00000
      9       5.5644     -0.00000
     10       8.0823     -0.00000
     11       8.1083     -0.00000
     12      12.0095      0.00000
     13      12.2508      0.00000
     14      13.1738      0.00000
     15      13.9085      0.00000
     16      14.3846      0.00000

 k-point     5 :       0.1667   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7558      0.00000

 k-point     6 :       0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7557      0.00000

 k-point     7 :       0.0000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.9948      1.00000
      2      -9.0891      1.00000
      3      -7.7452      1.00000
      4      -5.9200      1.00000
      5      -3.5219      1.00000
      6      -0.7680      1.00000
      7       2.3766      1.00000
      8       5.2736     -0.00000
      9       6.0829     -0.00000
     10       8.4680     -0.00000
     11       8.5996     -0.00000
     12       9.7712      0.00000
     13      10.3343      0.00000
     14      11.4079      0.00000
     15      12.4797      0.00000
     16      12.7556      0.00000

 k-point     8 :       0.2500   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5588      0.00000

 k-point     9 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5589      0.00000

 k-point    10 :       0.0000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.9508      1.00000
      2      -8.0414      1.00000
      3      -6.6920      1.00000
      4      -4.8596      1.00000
      5      -2.4487      1.00000
      6       0.2719      1.00000
      7       3.3466     -0.00944
      8       5.6641     -0.00000
      9       6.5276     -0.00000
     10       6.9139     -0.00000
     11       7.0343     -0.00000
     12       8.0983     -0.00000
     13       9.3873      0.00000
     14       9.5585      0.00000
     15       9.7862      0.00000
     16      11.5589      0.00000

 k-point    11 :       0.3333   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    12 :       0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7861      0.00000

 k-point    13 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1      -7.4866      1.00000
      2      -6.5716      1.00000
      3      -5.2152      1.00000
      4      -3.3786      1.00000
      5      -0.9789      1.00000
      6       1.5786      1.00000
      7       2.6046      1.00025
      8       3.5851     -0.00609
      9       4.8272     -0.00000
     10       5.0759     -0.00000
     11       6.5209     -0.00000
     12       7.5874     -0.00000
     13       8.1928     -0.00000
     14       8.6716      0.00000
     15      10.4970      0.00000
     16      10.7860      0.00000

 k-point    14 :       0.4167   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1661      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    15 :       0.4167    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1662      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    16 :       0.0000    0.4167    0.0000
  band No.  band energies     occupation 
      1      -5.5981      1.00000
      2      -4.6772      1.00000
      3      -3.3197      1.00000
      4      -1.5203      1.00000
      5      -0.5995      1.00000
      6       0.1661      1.00000
      7       1.1102      1.00000
      8       2.0352      1.00000
      9       3.6460     -0.00190
     10       3.7305     -0.00026
     11       5.8922     -0.00000
     12       6.6429     -0.00000
     13       8.2178     -0.00000
     14       9.1426      0.00000
     15       9.7343      0.00000
     16      10.4651      0.00000

 k-point    17 :       0.5000   -0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3740      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    18 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3739      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    19 :       0.0000    0.5000    0.0000
  band No.  band energies     occupation 
      1      -3.2954      1.00000
      2      -3.2768      1.00000
      3      -2.3747      1.00000
      4      -2.3689      1.00000
      5      -1.2512      1.00000
      6      -0.8668      1.00000
      7       0.6410      1.00000
      8       1.3740      1.00000
      9       3.3466     -0.00943
     10       3.4765     -0.02592
     11       5.6677     -0.00000
     12       6.0012     -0.00000
     13       8.3418     -0.00000
     14       8.8160      0.00000
     15      10.2975      0.00000
     16      10.5248      0.00000

 k-point    20 :       0.1667    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6131      0.00000

 k-point    21 :       0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6131      0.00000

 k-point    22 :      -0.0833    0.0833    0.0000
  band No.  band energies     occupation 
      1     -10.2035      1.00000
      2      -9.2985      1.00000
      3      -7.9557      1.00000
      4      -6.1321      1.00000
      5      -3.7374      1.00000
      6      -0.9778      1.00000
      7       2.1695      1.00000
      8       5.0996     -0.00000
      9       5.9114     -0.00000
     10       8.4090     -0.00000
     11       8.4197     -0.00000
     12      11.4863      0.00000
     13      11.5023      0.00000
     14      11.9266      0.00000
     15      12.0616      0.00000
     16      12.6136      0.00000

 k-point    23 :       0.2500    0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    24 :       0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    25 :      -0.0833    0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    26 :       0.1667   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    27 :      -0.0833   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    28 :      -0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -9.3686      1.00000
      2      -8.4607      1.00000
      3      -7.1135      1.00000
      4      -5.2837      1.00000
      5      -2.8768      1.00000
      6      -0.1412      1.00000
      7       2.9810      1.01759
      8       5.7614     -0.00000
      9       6.5823     -0.00000
     10       7.9114     -0.00000
     11       8.6359      0.00000
     12       8.9926      0.00000
     13       9.4098      0.00000
     14       9.8661      0.00000
     15      10.2244      0.00000
     16      10.7777      0.00000

 k-point    29 :       0.3333    0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    30 :       0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    31 :      -0.0833    0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    32 :       0.2500   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    33 :      -0.0833   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    34 :      -0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -8.1147      1.00000
      2      -7.2022      1.00000
      3      -5.8485      1.00000
      4      -4.0122      1.00000
      5      -1.5998      1.00000
      6       1.0809      1.00000
      7       3.8082     -0.00003
      8       4.7005     -0.00000
      9       5.4488     -0.00000
     10       6.5370     -0.00000
     11       7.0370     -0.00000
     12       7.6773     -0.00000
     13       8.1838     -0.00000
     14       8.9500      0.00000
     15       9.6422      0.00000
     16       9.9921      0.00000

 k-point    35 :       0.4167    0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    36 :       0.3333    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    37 :      -0.0833    0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    38 :       0.3333   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    39 :      -0.0833   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00986
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    40 :      -0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -6.4387      1.00000
      2      -5.5199      1.00000
      3      -4.1607      1.00000
      4      -2.3302      1.00000
      5      -0.0169      1.00000
      6       1.0668      1.00000
      7       2.0318      1.00000
      8       2.9906      1.00987
      9       3.5525     -0.01030
     10       5.1936     -0.00000
     11       5.8424     -0.00000
     12       7.2999     -0.00000
     13       7.9970     -0.00000
     14       8.6274     -0.00000
     15       9.0847      0.00000
     16       9.1603      0.00000

 k-point    41 :       0.5000    0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    42 :       0.4167    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    43 :      -0.0833    0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    44 :       0.4167   -0.0833    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    45 :      -0.0833    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    46 :       0.5000   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -4.3372      1.00000
      2      -3.4161      1.00000
      3      -2.0751      1.00000
      4      -1.8230      1.00000
      5      -0.9756      1.00000
      6      -0.3460      1.00000
      7       0.6672      1.00000
      8       2.2703      1.00000
      9       2.6390      1.00058
     10       4.7056     -0.00000
     11       4.8823     -0.00000
     12       7.0277     -0.00000
     13       7.4790     -0.00000
     14       8.0258     -0.00000
     15       8.8749      0.00000
     16       9.6743      0.00000

 k-point    47 :       0.3333    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0137      0.00000

 k-point    48 :       0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0188      0.00000

 k-point    49 :      -0.1667    0.1667    0.0000
  band No.  band energies     occupation 
      1      -8.3240      1.00000
      2      -7.4122      1.00000
      3      -6.0596      1.00000
      4      -4.2238      1.00000
      5      -1.8100      1.00000
      6       0.8878      1.00000
      7       3.8957     -0.00000
      8       6.0408     -0.00000
      9       6.5506     -0.00000
     10       7.2645     -0.00000
     11       7.3253     -0.00000
     12       7.5453     -0.00000
     13       7.5859     -0.00000
     14       8.4132     -0.00000
     15       8.7703      0.00000
     16      10.0156      0.00000

 k-point    50 :       0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    51 :       0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    52 :      -0.1667    0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    53 :       0.2500   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3948     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    54 :      -0.1667   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    55 :      -0.4167   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -6.8589      1.00000
      2      -5.9415      1.00000
      3      -4.5827      1.00000
      4      -2.7461      1.00000
      5      -0.3575      1.00000
      6       2.1654      1.00000
      7       3.1945      0.39258
      8       4.1602     -0.00000
      9       5.1060     -0.00000
     10       5.3947     -0.00000
     11       5.9236     -0.00000
     12       6.5068     -0.00000
     13       7.0229     -0.00000
     14       7.7660     -0.00000
     15       8.3655     -0.00000
     16       8.7375      0.00000

 k-point    56 :       0.5000    0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8120      0.00000

 k-point    57 :       0.3333    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8128      0.00000

 k-point    58 :      -0.1667    0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8143      0.00000

 k-point    59 :       0.3333   -0.1667    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8146      0.00000

 k-point    60 :      -0.1667    0.5000    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8168      0.00000

 k-point    61 :       0.5000   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -4.9696      1.00000
      2      -4.0475      1.00000
      3      -2.6910      1.00000
      4      -0.9014      1.00000
      5       0.0170      1.00000
      6       0.7681      1.00000
      7       1.7028      1.00000
      8       2.6096      1.00028
      9       4.0828     -0.00000
     10       4.2636     -0.00000
     11       4.9187     -0.00000
     12       5.7681     -0.00000
     13       6.6169     -0.00000
     14       7.3994     -0.00000
     15       7.4679     -0.00000
     16       8.8188      0.00000

 k-point    62 :      -0.4167    0.1667    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    63 :       0.4167   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    64 :      -0.1667    0.4167    0.0000
  band No.  band energies     occupation 
      1      -2.6694      1.00000
      2      -2.6504      1.00000
      3      -1.7561      1.00000
      4      -1.7404      1.00000
      5      -0.6368      1.00000
      6      -0.2535      1.00000
      7       1.2422      1.00000
      8       1.9677      1.00000
      9       3.7538     -0.00014
     10       3.8785     -0.00000
     11       4.7624     -0.00000
     12       5.7918     -0.00000
     13       6.3901     -0.00000
     14       6.7469     -0.00000
     15       7.1517     -0.00000
     16       8.6698      0.00000

 k-point    65 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    66 :       0.2500    0.5000    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    67 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1      -5.1806      1.00000
      2      -4.2586      1.00000
      3      -2.8993      1.00000
      4      -1.0856      1.00000
      5       1.1250      1.00000
      6       2.1656      1.00000
      7       2.3321      1.00000
      8       3.0484      0.92100
      9       3.5003     -0.02044
     10       4.2541     -0.00000
     11       4.4980     -0.00000
     12       4.8813     -0.00000
     13       6.2104     -0.00000
     14       6.8420     -0.00000
     15       7.1815     -0.00000
     16       8.6412      0.00000

 k-point    68 :      -0.4167    0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    69 :       0.3333   -0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    70 :      -0.2500    0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    71 :       0.3333   -0.2500    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    72 :      -0.2500    0.4167    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    73 :       0.4167   -0.3333    0.0000
  band No.  band energies     occupation 
      1      -3.0803      1.00000
      2      -2.1624      1.00000
      3      -0.8369      1.00000
      4      -0.5777      1.00000
      5       0.2481      1.00000
      6       0.8386      1.00000
      7       1.8111      1.00000
      8       1.8704      1.00000
      9       2.6095      1.00028
     10       3.1911      0.40623
     11       4.1127     -0.00000
     12       4.6692     -0.00000
     13       6.0337     -0.00000
     14       6.1387     -0.00000
     15       6.3346     -0.00000
     16       8.2025     -0.00000

 k-point    74 :      -0.3333    0.3333    0.0000
  band No.  band energies     occupation 
      1      -0.7989      1.00000
      2      -0.7984      1.00000
      3      -0.7660      1.00000
      4       0.0434      1.00000
      5       0.1293      1.00000
      6       0.1301      1.00000
      7       1.1364      1.00000
      8       1.1387      1.00000
      9       1.8217      1.00000
     10       2.6859      1.00168
     11       4.0827     -0.00000
     12       4.0911     -0.00000
     13       5.9434     -0.00000
     14       5.9477     -0.00000
     15       6.0096     -0.00000
     16       8.0075     -0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
  8.065  13.767   0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.767  23.495   0.000  -0.003   0.000  -0.000  -0.010   0.000
  0.000   0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.465
 -0.000  -0.000   5.465  -0.000   0.000  15.757  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.465   0.000  -0.000  15.757
 pseudopotential strength for first ion, spin component:           2
  8.065  13.767  -0.000  -0.002   0.000  -0.000  -0.006   0.000
 13.767  23.495  -0.000  -0.003   0.000  -0.000  -0.010   0.000
 -0.000  -0.000   1.879  -0.000   0.000   5.465  -0.000   0.000
 -0.002  -0.003  -0.000   1.880  -0.000  -0.000   5.468  -0.000
  0.000   0.000   0.000  -0.000   1.879   0.000  -0.000   5.465
 -0.000  -0.000   5.465  -0.000   0.000  15.757  -0.000   0.000
 -0.006  -0.010  -0.000   5.468  -0.000  -0.000  15.765  -0.000
  0.000   0.000   0.000  -0.000   5.465   0.000  -0.000  15.757
 total augmentation occupancy for first ion, spin component:           1
115.960 -61.933   0.000  -0.154   0.000  -0.000  -0.010  -0.000
-61.933  33.078  -0.000   0.074  -0.000   0.000   0.007   0.000
  0.000  -0.000   2.061   0.000  -0.000  -0.320  -0.000   0.000
 -0.154   0.074   0.000   1.694   0.000  -0.000  -0.259  -0.000
  0.000  -0.000  -0.000   0.000   2.061   0.000  -0.000  -0.320
 -0.000   0.000  -0.320  -0.000   0.000   0.050   0.000  -0.000
 -0.010   0.007  -0.000  -0.259  -0.000   0.000   0.040   0.000
 -0.000   0.000   0.000  -0.000  -0.320  -0.000   0.000   0.050
 total augmentation occupancy for first ion, spin component:           2
 -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000   0.000  -0.000  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000
  0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time      0.0018: real time      0.0018
    FORHF :  cpu time    423.7825: real time    426.8766
    FORNL :  cpu time      0.4985: real time      0.5046
    FORCOR:  cpu time      1.9592: real time      1.9711
    OFIELD:  cpu time      0.0005: real time      0.0005

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      136.70
      direct lattice vectors                 reciprocal lattice vectors
     2.857459769  0.000000000  0.000000000     0.349961183 -0.202050183  0.000000000
     1.428729885  2.474632750  0.000000000     0.000000000  0.404100366  0.000000000
     0.000000000  0.000000000 19.332424526     0.000000000  0.000000000  0.051726569

  length of vectors
     2.857459769  2.857459769 19.332424526     0.404100366  0.404100366  0.051726569


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   0.229E-05 0.132E-05 0.180E+03   0.396E-13 0.252E-13 -.179E+03   -.269E-05 -.149E-05 -.104E+01
   -.830E-07 0.107E-05 0.910E+02   0.459E-15 0.809E-14 -.909E+02   0.118E-07 -.141E-05 -.686E-01
   0.537E-06 0.616E-06 -.899E-01   -.137E-12 -.845E-13 0.845E-01   -.392E-06 -.448E-06 0.762E-02
   -.112E-05 0.433E-06 -.910E+02   0.131E-12 0.774E-13 0.910E+02   0.975E-06 -.810E-06 0.816E-01
   0.827E-06 0.113E-05 -.179E+03   -.445E-13 -.231E-13 0.179E+03   -.676E-06 -.126E-05 0.102E+01
 -----------------------------------------------------------------------------------------------
   0.291E-05 0.503E-05 -.343E-02   -.971E-14 0.313E-14 0.000E+00   -.277E-05 -.543E-05 -.409E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.85746      1.64976      0.00000         0.000000      0.000000     -0.010569
      0.00000      0.00000      2.38057         0.000000     -0.000000      0.001484
      1.42873      0.82488      4.71814        -0.000001     -0.000000      0.002709
      2.85746      1.64976      7.05720         0.000001      0.000000      0.003173
      0.00000      0.00000      9.44216        -0.000000     -0.000000      0.003203
 -----------------------------------------------------------------------------------
    total drift:                                0.000000     -0.000001     -0.003520


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -13.90578432 eV

  energy  without entropy=      -13.90233294  energy(sigma->0) =      -13.90463386
 
 d Force =-0.1940988E-06[-0.610E-06, 0.221E-06]  d Energy = 0.3289708E-05-0.348E-05
 d Force =-0.7864688E-02[-0.787E-02,-0.786E-02]  d Ewald  =-0.7864688E-02-0.642E-11


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time      1.9553: real time      1.9671


--------------------------------------------------------------------------------------------------------


 Quasi-Newton relaxation of ions (Broydens 2nd method)
  g(Force)  = 0.144E-05   g(Stress)= 0.000E+00

 retain information from N=  2 steps
 eigenvalues of (default step * inverse Hessian matrix)
  average eigenvalue of G=   3.1933
 eigenvalue spectrum of G is  0.3989  5.9877


--------------------------------------------------------------------------------------------------------


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  cpu time   7543.7138: real time   7608.2634
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0    93875. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       3159. kBytes
   fftplans  :       4460. kBytes
   grid      :       3201. kBytes
   one-center:         12. kBytes
   HF        :          4. kBytes
   nonlr-proj:      30847. kBytes
   wavefun   :      19095. kBytes
   fock_wrk  :       3097. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   581324.562
                            User time (sec):   551407.330
                          System time (sec):    29917.227
                         Elapsed time (sec):   586275.228
  
                   Maximum memory used (kb):      294272.
                   Average memory used (kb):          N/A
  
                          Minor page faults:      3731719
                          Major page faults:          141
                 Voluntary context switches:         3649
